Compound C12H14ClN3O4

2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-phenylpropanoic acid

CAS: 52322-29-9

Molecular Formula	`C12H14ClN3O4`
Molecular Weight	299.71 g/mol
LogP	2.7
Topological Polar Surface Area	99.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	299.0673
Heavy Atoms	20
Complexity	348.0

Chemical Identifiers

CAS Number	52322-29-9
SMILES	`C1=CC=C(C=C1)CC(C(=O)O)NC(=O)N(CCCl)N=O`
InChIKey	`AMQOVKFPGUGUDM-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H14ClN3O4 (CAS: 52322-29-9) is a chemical compound with molecular formula C12H14ClN3O4 and molecular weight 299.71 g/mol. Its IUPAC systematic name is 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-phenylpropanoic acid. LogP 2.7 Topological Polar Surface Area 99.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 299.0673 Heavy Atoms 20 Complexity 348.0 InChI Key: AMQOVKFPGUGUDM-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)N(CCCl)N=O.

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