Compound C13H14Cl2N6O6

3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid

CAS: 13907-61-4

Molecular Formula	`C13H14Cl2N6O6`
Molecular Weight	421.2 g/mol
LogP	1.5
Topological Polar Surface Area	161.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	420.0352
Heavy Atoms	27
Complexity	527.0

Chemical Identifiers

CAS Number	13907-61-4
SMILES	`C1=C(C=C(C=C1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O)C(=O)O`
InChIKey	`RRTCCTJFLQKSPL-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H14Cl2N6O6 (CAS: 13907-61-4) is a chemical compound with molecular formula C13H14Cl2N6O6 and molecular weight 421.2 g/mol. Its IUPAC systematic name is 3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid. LogP 1.5 Topological Polar Surface Area 161.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 420.0352 Heavy Atoms 27 Complexity 527.0 InChI Key: RRTCCTJFLQKSPL-UHFFFAOYSA-N. SMILES: C1=C(C=C(C=C1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O)C(=O)O.

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