AG0038KA

651026-98-1 | 3-Bromo-2,4-difluorobenzoic acid

AG0038KA

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CAS Number	651026-98-1
Catalog Number	AG0038KA(AGN-PC-0NGOU3)
Chemical Name	3-Bromo-2,4-difluorobenzoic acid
IUPAC Name	3-bromo-2,4-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,(H,11,12)
InChI Key	LPHSBCGWEINIHT-UHFFFAOYSA-N
MDL Number	MFCD09261257
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	BrC=1C(=C(C(=O)O)C=CC1F)F
Synonyms	3-BROMO-2,4-DIFLUOROBENZOIC ACID, 651026-98-1, 3-bromo-2,4-difluoro-benzoic Acid, Benzoic acid, 3-bromo-2,4-difluoro-, SCHEMBL318609, CTK2A0035, DTXSID50456972, LPHSBCGWEINIHT-UHFFFAOYSA-N, MFCD09261257, ZINC38302623, AKOS023125777, CS-0037194, KS-00002454, CS-4054, CID11149078,

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-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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