AG0022SJ

181282-80-4 | Benzoic acid, 4-chloro-3-cyano-, methyl ester

AG0022SJ

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	181282-80-4
Catalog Number	AG0022SJ(AGN-PC-03T0D1)
Chemical Name	Benzoic acid, 4-chloro-3-cyano-, methyl ester
IUPAC Name	methyl 4-chloro-3-cyanobenzoate
InChI	InChI=1S/C9H6ClNO2/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-4H,1H3
InChI Key	RYYMSFBYYAYGOX-UHFFFAOYSA-N
MDL Number	MFCD18398898
Molecular Formula	C9H6ClNO2
Molecular Weight	195.6024
SMILES	O=C(OC)C1=CC=C(Cl)C(C#N)=C1
Synonyms	Methyl 4-chloro-3-cyanobenzoate, 181282-80-4, methyl-3-Cyano-4-chloro-benzoate, Benzoic acid, 4-chloro-3-cyano-, methyl ester, SCHEMBL6866955, RYYMSFBYYAYGOX-UHFFFAOYSA-N, MFCD18398898, ZINC95936209, DA-43470, AJ-138236, FT-0722367,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.009g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.602g/mol
Monoisotopic Mass	195.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number