AG00FCD7

685892-23-3 | Methyl 2-bromo-6-chlorobenzoate

AG00FCD7

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CAS Number	685892-23-3
Catalog Number	AG00FCD7(AGN-PC-0KKNIC)
Chemical Name	Methyl 2-bromo-6-chlorobenzoate
IUPAC Name	methyl 2-bromo-6-chlorobenzoate
InChI	InChI=1S/C8H6BrClO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key	XSNZTSBNXMQBRI-UHFFFAOYSA-N
MDL Number	MFCD03789160
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	O=C(OC)C1=C(Cl)C=CC=C1Br
Synonyms	methyl 2-bromo-6-chlorobenzoate, 685892-23-3, Methyl-2-bromo-6-chlorobenzoate, Benzoic acid, 2-bromo-6-chloro-, methyl ester, 2-BROMO-6-CHLOROBENZOIC ACID METHYL ESTER, PubChem12094, AC1MC1AT, SCHEMBL852447, ACMC-209o44, methyl2-bromo-6-chlorobenzoate, CTK6I8637, DTXSID10374926, XSNZTSBNXMQBRI-UHFFFAOYSA-N, ZINC2511080, ANW-35522, MFCD03789160, AKOS004115261, AM83025, AS03619, CM-1295, MB02960, RP28866, 5-bromo-2-(tert-butylsulfonyl)pyridine, Methyl 2-bromo-6-chlorobenzoate, 98%, AJ-36541, AK-61908, AS-19882, BC003634, CJ-08606, SC-31456, SC-52312, SY063558, AB0042886, DB-074045, RT-023070, A9124, FT-0755841, ST24030942, Z0781, MFCD03789160 (95%), Q-7955, J-521969, C8H6BrClO2, ZINC02511080, CID2759827, 685-89-2,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.488g/mol
Monoisotopic Mass	247.924g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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