AG00BIP2

214759-66-7 | Methyl 3-chloro-4-cyanobenzoate

AG00BIP2

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CAS Number	214759-66-7
Catalog Number	AG00BIP2(AGN-PC-023EM9)
Chemical Name	Methyl 3-chloro-4-cyanobenzoate
IUPAC Name	methyl 3-chloro-4-cyanobenzoate
InChI	InChI=1S/C9H6ClNO2/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4H,1H3
InChI Key	KDNFJYKKFLHZKZ-UHFFFAOYSA-N
MDL Number	MFCD12756074
Molecular Formula	C9H6ClNO2
Molecular Weight	195.6024
SMILES	COC(=O)C1=CC(Cl)=C(C=C1)C#N
Synonyms	Methyl 3-chloro-4-cyanobenzoate, 214759-66-7, SCHEMBL5089121, KS-00000PKQ, DTXSID40597843, KDNFJYKKFLHZKZ-UHFFFAOYSA-N, MFCD12756074, ZINC80441673, AKOS016008921, AB66183, CM12559, CS-W006734, DS-2744, FS-3743, MP-1195, AK110533, CJ-21981, AB0058364, AJ-123871, 4CH-011264, FT-0753030, ST24025288, Z4409, Benzoic acid, 3-chloro-4-cyano-, methylester, Benzoic acid, 3-chloro-4-cyano-, methyl ester, C9H6ClNO2,

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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number