AG00HJ2I

1261685-26-0 | 3-Chloro-4-cyanobenzoic acid

AG00HJ2I

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1261685-26-0
Catalog Number	AG00HJ2I(AGN-PC-0WNGJV)
Chemical Name	3-Chloro-4-cyanobenzoic acid
IUPAC Name	3-chloro-4-cyanobenzoic acid
InChI	InChI=1S/C8H4ClNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
InChI Key	GGFAMPXDXCRALW-UHFFFAOYSA-N
MDL Number	MFCD18392433
Molecular Formula	C8H4ClNO2
Molecular Weight	181.5759
SMILES	ClC=1C=C(C(=O)O)C=CC1C#N
Synonyms	3-chloro-4-cyanobenzoic acid, 1261685-26-0, SCHEMBL17272798, GGFAMPXDXCRALW-UHFFFAOYSA-N, KS-00000U4N, ZINC88611796, AKOS017515170, MCULE-3215388414, NE46073, AK608481, AS-44040, DB-099195, CS-0098688, Z1695906708, 4-Cyano-3-chlorobenzoic acid,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.993056g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.57g/mol
Monoisotopic Mass	180.993056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number