AG00CLCJ

314298-22-1 | 5-BroMo-4-fluoro-2-Methoxy-benzoic acid Methyl ester

AG00CLCJ

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CAS Number	314298-22-1
Catalog Number	AG00CLCJ(AGN-PC-0WD11W)
Chemical Name	5-BroMo-4-fluoro-2-Methoxy-benzoic acid Methyl ester
IUPAC Name	methyl 5-bromo-4-fluoro-2-methoxybenzoate
InChI	InChI=1S/C9H8BrFO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,1-2H3
InChI Key	FCNDTIGRBPWKJB-UHFFFAOYSA-N
MDL Number	MFCD16036943
Molecular Formula	C9H8BrFO3
Molecular Weight	263.0604
SMILES	O=C(OC)C1=CC(Br)=C(F)C=C1OC
Synonyms	METHYL 5-BROMO-4-FLUORO-2-METHOXYBENZOATE, 314298-22-1, 5-bromo-4-fluoro-2-methoxy-benzoic acid methyl ester, SCHEMBL5464579, DTXSID80622380, FCNDTIGRBPWKJB-UHFFFAOYSA-N, 3390AB, MFCD16036943, ZINC91297226, FCH1391663, AJ-129332, AX8245417, FT-0719847, C9H8BrFO3, Methyl5-bromo-4-fluoro-2-methoxybenzoate,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.964g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.062g/mol
Monoisotopic Mass	261.964g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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