Compound C11H13Cl2NO2

2-[bis(2-chloroethyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione

CAS: 2158-70-5

Molecular Formula	`C11H13Cl2NO2`
Molecular Weight	262.13 g/mol
LogP	1.9
Topological Polar Surface Area	37.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	261.03235
Heavy Atoms	16
Complexity	355.0

Chemical Identifiers

CAS Number	2158-70-5
SMILES	`CC1=CC(=O)C(=CC1=O)N(CCCl)CCCl`
InChIKey	`ZHVDCYMYIRXUAB-UHFFFAOYSA-N`

📖 Product Overview

Compound C11H13Cl2NO2 (CAS: 2158-70-5) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 262.13 g/mol. Its IUPAC systematic name is 2-[bis(2-chloroethyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione. LogP 1.9 Topological Polar Surface Area 37.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 261.03235 Heavy Atoms 16 Complexity 355.0 InChI Key: ZHVDCYMYIRXUAB-UHFFFAOYSA-N. SMILES: CC1=CC(=O)C(=CC1=O)N(CCCl)CCCl.

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