CAS 17870-85-8 | Benzoic acid, 4-chloro-2-[(3-chlorophenyl)amino]- | CAS Number 17870-85-8

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17870-85-8 | Benzoic acid, 4-chloro-2-[(3-chlorophenyl)amino]-

CAS No: 17870-85-8 Catalog No: AG00268Z MDL No:

Product Description

Catalog Number:

AG00268Z

Chemical Name:

Benzoic acid, 4-chloro-2-[(3-chlorophenyl)amino]-

CAS Number:

17870-85-8

Molecular Formula:

C13H9Cl2NO2

Molecular Weight:

282.1221

IUPAC Name:

4-chloro-2-(3-chloroanilino)benzoic acid

InChI:

InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)

InChI Key:

GSDQYSSLIKJJOG-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.001g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.12g/mol

Monoisotopic Mass:

281.001g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.2

Literature

Title	Journal
Dual effect of blocking agents on Ca2+-activated Cl(-) currents in rabbit pulmonary artery smooth muscle cells.	The Journal of physiology 20020215
Hypertonicity stimulates Cl(-) transport in the intestine of fresh water acclimated eel, Anguilla anguilla.	Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 20010101