主记录
OVTRJMNZIRSECO-UHFFFAOYSA-N
- CAS
- 1628690-21-0
- PubChem CID
- 57008502
- SMILES
- CC(=O)NC(CC(=O)C1=C(C=C(C=C1)Cl)N)C(=O)O
- 分子式
- C12H13ClN2O4
- 分子量
- 284.699
- 精确分子量
- 284.0564
- InChI
- InChI=1S/C12H13ClN2O4/c1-6(16)15-10(12(18)19)5-11(17)8-3-2-7(13)4-9(8)14/h2-4,10H,5,14H2,1H3,(H,15,16)(H,18,19)
- InChIKey
- OVTRJMNZIRSECO-UHFFFAOYSA-N
- LogP
- 1.0843
- TPSA
- 109.49
名称与别名
- SCHEMBL16093814
- OVTRJMNZIRSECO-UHFFFAOYSA-N
- DB-392507
- 2-acetamido-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
- 2-acetylamino-4-(2-amino-4-chloro-phenyl)-4-oxo-butyric acid
- 1628690-21-0