AG002R2Z

259269-84-6 | Benzoic acid, 2-amino-3-bromo-5-fluoro-

AG002R2Z

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CAS Number	259269-84-6
Catalog Number	AG002R2Z(AGN-PC-0KL156)
Chemical Name	Benzoic acid, 2-amino-3-bromo-5-fluoro-
IUPAC Name	2-amino-3-bromo-5-fluorobenzoic acid
InChI	InChI=1S/C7H5BrFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key	LTOCPZGBNWZMBA-UHFFFAOYSA-N
MDL Number	MFCD00662509
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	NC1=C(C=C(F)C=C1Br)C(O)=O
Synonyms	2-amino-3-bromo-5-fluorobenzoic acid, 259269-84-6, Benzoic acid, 2-amino-3-bromo-5-fluoro-, MFCD00662509, 2-amino-3-bromo-5-fluoro-benzoic Acid, AC1MD0NG, SCHEMBL951409, CTK7B7932, 3-Bromo-5-fluoroanthranilic acid, DTXSID50381836, LTOCPZGBNWZMBA-UHFFFAOYSA-N, ZINC165668, KS-00000I1R, 2177AB, ANW-59347, SBB098162, AKOS009158660, AS06915, CA-1770, CS-W021546, PS-7678, RP28093, AC-28474, AJ-16417, AK-38540, SC-88602, SY034461, DB-004517, ST2409462, TC-148092, 4CH-000247, FT-0705776, MFCD00662509 (95%), J-507776, Z1741967536, C7H5BrFNO2, 2-Amino-3-bromo-5-fluorobenzoicacid, ACN-050185, CID2781703,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.024g/mol
Monoisotopic Mass	232.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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