Compound C13H14Cl2N2O2

7-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid

CAS: 731-76-0

Molecular Formula	`C13H14Cl2N2O2`
Molecular Weight	301.16 g/mol
LogP	3.2
Topological Polar Surface Area	56.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	300.04324
Heavy Atoms	19
Complexity	311.0

Chemical Identifiers

CAS Number	731-76-0
SMILES	`C1=CC2=C(C(=C1)N(CCCl)CCCl)NC(=C2)C(=O)O`
InChIKey	`NXEJUQMSIFIXKW-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H14Cl2N2O2 (CAS: 731-76-0) is a chemical compound with molecular formula C13H14Cl2N2O2 and molecular weight 301.16 g/mol. Its IUPAC systematic name is 7-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid. LogP 3.2 Topological Polar Surface Area 56.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 300.04324 Heavy Atoms 19 Complexity 311.0 InChI Key: NXEJUQMSIFIXKW-UHFFFAOYSA-N. SMILES: C1=CC2=C(C(=C1)N(CCCl)CCCl)NC(=C2)C(=O)O.

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