AG002VC1

2905-54-6 | Benzoic acid, 2,3-dichloro-, methyl ester

AG002VC1

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CAS Number	2905-54-6
Catalog Number	AG002VC1(AGN-PC-0JLPUU)
Chemical Name	Benzoic acid, 2,3-dichloro-, methyl ester
EC Number	608-309-8
IUPAC Name	methyl 2,3-dichlorobenzoate
InChI	InChI=1S/C8H6Cl2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChI Key	RFVULUSGHFRDHJ-UHFFFAOYSA-N
MDL Number	MFCD00061099
Molecular Formula	C8H6Cl2O2
Molecular Weight	205.0380
SMILES	O=C(OC)C1=CC=CC(Cl)=C1Cl
Synonyms	Methyl 2,3-dichlorobenzoate, 2905-54-6, 2,3-Dichlorobenzoic Methylester, Benzoic acid, 2,3-dichloro-, methyl ester, RFVULUSGHFRDHJ-UHFFFAOYSA-N, 2,3-Dichlorobenzoic acid methyl ester, ACMC-1CFEZ, AC1L2QD7, methyl-2,3-dichlorobenzoate, SCHEMBL993113, AC1Q3L04, DTXSID4062696, CTK3J8362, KS-00000GK8, ZINC1081470, ANW-26536, MFCD00061099, STK428925, AKOS003302031, DS-4347, MCULE-3022696040, RTR-012713, AJ-24965, AK115924, CJ-04750, DA-07294, ZB015952, TR-012713, FT-0693586, ST50307646, K-7134, Methyl dichlorobenzoate, METHYL2,3-DICHLOROBENZOATE, C8-H6-Cl2-O2, CID76189, AR-1J5795, ACN-054212, methyl 2,3-dichloro-6-quinoxalinecarboxylate, 6917-75-5,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.034g/mol
Monoisotopic Mass	203.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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