78861-19-5 ((Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate)

CAS号:
78861-19-5
英文名称:
Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate
分子式:
C12H13BrO3
分子量:
285.133823156357

Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate(78861-19-5)名称与标识符

名称

英文别名:
Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate;Benzenebutanoic acid, β-bromo-4-methyl-γ-oxo-, methyl ester;

标识符

InChIKey:
UNLQVMYHFLCLOS-UHFFFAOYSA-N
Inchi:
1S/C12H13BrO3/c1-8-3-5-9(6-4-8)12(15)10(13)7-11(14)16-2/h3-6,10H,7H2,1-2H3
SMILES:
C1(C(=O)C(Br)CC(OC)=O)=CC=C(C)C=C1

Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate(78861-19-5)物化性质

实验特性

  • LogP : 2.50430
  • PSA : 43.37000
  • 沸点 : 355.0±32.0 °C(Predicted)
  • 密度 : 1.399±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 284.00500