AG004DQP

887585-64-0 | 5-Bromo-2,3-difluorobenzoic acid

AG004DQP

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CAS Number	887585-64-0
Catalog Number	AG004DQP(AGN-PC-03X6KR)
Chemical Name	5-Bromo-2,3-difluorobenzoic acid
IUPAC Name	5-bromo-2,3-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChI Key	IOYATAKVVIXJQT-UHFFFAOYSA-N
MDL Number	MFCD04972472
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	O=C(O)C1=CC(Br)=CC(F)=C1F
Synonyms	5-Bromo-2,3-difluorobenzoic acid, 887585-64-0, PubChem23047, ACMC-209qx8, SCHEMBL671102, CTK5G1564, DTXSID40629512, IOYATAKVVIXJQT-UHFFFAOYSA-N, ZINC2539988, ANW-39162, MFCD04972472, AKOS015834358, AB21087, CM12482, RTR-027934, YF10089, AJ-38967, AS-33114, BC004865, BC205484, SC-51250, TR-027934, Z1782, B-4785, C7H3BrF2O2, 5-Bromo-2,3-difluorobenzoicacid,

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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