AG004K1H

878207-28-4 | Methyl 2-bromo-4,5-difluorobenzoate

AG004K1H

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CAS Number	878207-28-4
Catalog Number	AG004K1H(AGN-PC-058CM6)
Chemical Name	Methyl 2-bromo-4,5-difluorobenzoate
IUPAC Name	methyl 2-bromo-4,5-difluorobenzoate
InChI	InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3
InChI Key	ZCGAVEFBZYWYJW-UHFFFAOYSA-N
MDL Number	MFCD08458104
Molecular Formula	C8H5BrF2O2
Molecular Weight	251.0249
SMILES	O=C(OC)C1=CC(F)=C(F)C=C1Br
Synonyms	Methyl 2-bromo-4,5-difluorobenzoate, 878207-28-4, Methyl2-Bromo-4,5-Difluorobenzoate, Benzoic acid, 2-bromo-4,5-difluoro-, methyl ester, 2-Bromo-4,5-difluorobenzoic acid methyl ester, 878207-28-4 methyl 2-bromo-4,5-difluorobenzoate, ACMC-209qqb, KSC496E9J, SCHEMBL709908, CTK3J6294, DTXSID10650474, ZCGAVEFBZYWYJW-UHFFFAOYSA-N, WT156, KS-000011IC, ANW-38913, CL8525, MFCD08458104, SBB100861, WT2195, ZINC16159238, AKOS015995347, CM12476, AJ-68641, AS-46042, CJ-15456, SC-44770, DB-077115, RT-002945, ST2407144, 4CH-002582, FT-0686438, TL80090427, W9020, Q-9436, 2-bromo-4,5-difluoro-benzoic acid methyl ester, 2-Bromo-4,5-difluoro-benzoic acid, methyl ester, C8H5BrF2O2,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.944g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.027g/mol
Monoisotopic Mass	249.944g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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