304853-90-5 ((9ci)-(1,4-二氢-4,4-二甲基-2-氧代-2H-3,1-苯并噁嗪-6-基)-硼酸,4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid)

CAS号:
304853-90-5
中文名称:
(9ci)-(1,4-二氢-4,4-二甲基-2-氧代-2H-3,1-苯并噁嗪-6-基)-硼酸
英文名称:
4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid
分子式:
C10H12BNO4
分子量:
221.017582893372

(9ci)-(1,4-二氢-4,4-二甲基-2-氧代-2H-3,1-苯并噁嗪-6-基)-硼酸(304853-90-5)名称与标识符

名称

中文别名:
(9ci)-(1,4-二氢-4,4-二甲基-2-氧代-2H-3,1-苯并噁嗪-6-基)-硼酸;
英文别名:
4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid;(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)boronic acid;Boronic acid,B-(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)-;(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronicacid;Boronicacid, (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)- (9CI);4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo [d][1,3]oxazin-6-ylboronic acid;(1,4-dihydro4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;(4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)boronic acid;SCHEMBL1743997;4,4-dimethyl 2 oxo -1,4-dihydro 2H-benzo[d][1,3]oxazine-6-boronic acid;(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid;(4,4-dimethyl-2-oxo-2,4-dihydro-1H-3,1-benzoxazin-6-yl)boronic acid;(4,4-dimethyl-1,4-dihydro-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid;4,4-dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-boronic acid;QHWLPZYUNQBUGQ-UHFFFAOYSA-N;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl) boronic acid;(4,4-dimethyl-1,4-dihydro-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;4,4-dimethyl 2 oxo-1,4-dihydro 2H-benzo[d][1,3]oxazin-6-boronic acid;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzooxazin-6-yl)boronic acid;starbld0018458;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl) boronic acid;(1, 4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;(1.4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;4,4-dimethyl 2 oxo-1,4-dihydro 2 H-benzo [d][1,3]oxazine -6-boronic acid;DTXSID20450922;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;4,4-dimethyl 2 oxo-1,4-dihydro 2H-benzo[d][1,3]oxazine-6-boronic acid;304853-90-5;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid;

标识符

InChIKey:
QHWLPZYUNQBUGQ-UHFFFAOYSA-N
Inchi:
1S/C10H12BNO4/c1-10(2)7-5-6(11(14)15)3-4-8(7)12-9(13)16-10/h3-5,14-15H,1-2H3,(H,12,13)
SMILES:
O1C(NC2C=CC(B(O)O)=CC=2C1(C)C)=O

(9ci)-(1,4-二氢-4,4-二甲基-2-氧代-2H-3,1-苯并噁嗪-6-基)-硼酸(304853-90-5)物化性质

实验特性

  • LogP : -0.38720
  • PSA : 78.79

计算特性

  • 精确分子量 : 220.08956
  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 221.0859380g/mol
  • 重原子数量 : 16
  • 复杂度 : 295
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 拓扑分子极性表面积 : 78.8Ų