AG00C3W5

28314-82-1 | 4-Bromo-2,5-difluorobenzoic acid

AG00C3W5

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CAS Number	28314-82-1
Catalog Number	AG00C3W5(AGN-PC-0JWKYR)
Chemical Name	4-Bromo-2,5-difluorobenzoic acid
IUPAC Name	4-bromo-2,5-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChI Key	YWZSTHLOAZTDFJ-UHFFFAOYSA-N
MDL Number	MFCD00844105
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	O=C(O)C1=CC(F)=C(Br)C=C1F
Synonyms	4-bromo-2,5-difluorobenzoic acid, 28314-82-1, Benzoic acid, 4-bromo-2,5-difluoro-, AC1LGKD6, SCHEMBL590353, CTK8B5491, KS-00000OYC, DTXSID70356384, 4-Brom-2.5-difluor-benzoesaeure, YWZSTHLOAZTDFJ-UHFFFAOYSA-N, ZINC340520, 4-bromo-2,5-difluorobenzoic acid;, ANW-48920, CL8911, EBD286342, MFCD00844105, 2,5-difluoro-4-bromo-benzoic acid;, 4-bromo-2, 5-difluorobenzoic acid;, AKOS013532449, CM12480, CS-W006705, GS-3943, QC-4639, AC-28609, AJ-19927, AK-64859, BR-64859, SC-22902, AB0023949, TC-137665, 4CH-010720, ST24023329, W5111, S-3820, Z1741973561, C7H3BrF2O2, 4-Bromo-2,5-difluorobenzoicacid, CID822857, ACN-050611, AG-227/36794013,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.928g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237g/mol
Monoisotopic Mass	235.928g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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