BRN 2172034

4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,6-dimethylbenzoic acid

CAS: 33054-79-4

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	4
Exact Mass	299.0673
Heavy Atoms	20
Complexity	368.0

Chemical Identifiers

CAS Number	33054-79-4
SMILES	`CC1=CC(=CC(=C1C(=O)O)C)NC(=O)N(CCCl)N=O`
InChIKey	`LHXROPALKCXVAZ-UHFFFAOYSA-N`

📖 Product Overview

BRN 2172034 (CAS: 33054-79-4) is a chemical compound with molecular formula C12H14ClN3O4 and molecular weight 299.71 g/mol. Its IUPAC systematic name is 4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,6-dimethylbenzoic acid. LogP 2.7 Topological Polar Surface Area 99.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 299.0673 Heavy Atoms 20 Complexity 368.0 InChI Key: LHXROPALKCXVAZ-UHFFFAOYSA-N. SMILES: CC1=CC(=CC(=C1C(=O)O)C)NC(=O)N(CCCl)N=O.

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