AG005CUM

773134-11-5 | Methyl 4-bromo-2,6-difluorobenzoate

AG005CUM

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CAS Number	773134-11-5
Catalog Number	AG005CUM(AGN-PC-056MZ8)
Chemical Name	Methyl 4-bromo-2,6-difluorobenzoate
IUPAC Name	methyl 4-bromo-2,6-difluorobenzoate
InChI	InChI=1S/C8H5BrF2O2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChI Key	JBXJLZRTTCGLNR-UHFFFAOYSA-N
MDL Number	MFCD06204169
Molecular Formula	C8H5BrF2O2
Molecular Weight	251.0249
SMILES	O=C(OC)C1=C(F)C=C(Br)C=C1F
Synonyms	Methyl 4-bromo-2,6-difluorobenzoate, 773134-11-5, methyl4-bromo-2,6-difluorobenzoate, 4-BROMO-2,6-DIFLUOROBENZOIC ACID METHYL ESTER, KSC496E7R, SCHEMBL517686, ACMC-209p97, RARECHEM AL BF 1306, CTK3J6278, KS-00000BYG, DTXSID00649953, JBXJLZRTTCGLNR-UHFFFAOYSA-N, ART-CHEM-BB ACB000952, ACT07412, ANW-37001, CL8560, FC1127, methyl 2,6-difluoro-4-bromobenzoate, methyl-4-bromo-2,6-difluorobenzoate, MFCD06204169, ZINC14989357, AKOS015835502, methyl 4-bromo-2,6-difluoro-benzoate, AB23217, AM84014, AS02418, RTR-024713, TRA0064133, AC-30057, AJ-66703, AK-80096, AN-27359, DS-15860, SC-65348, SY056799, AB0042945, DB-011603, ST2419573, TR-024713, 4CH-013635, A9786, CS-0018767, FT-0081515, FT-0646540, Z0841, MFCD06204169 (97%), B-4037, 134M115, I01-6171, I01-12808, C8H5BrF2O2,

Complexity	189
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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