AG000FXB

1153974-98-1 | Benzoic acid, 2-amino-6-bromo-3-fluoro-

AG000FXB

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CAS Number	1153974-98-1
Catalog Number	AG000FXB(AGN-PC-06NMWF)
Chemical Name	Benzoic acid, 2-amino-6-bromo-3-fluoro-
IUPAC Name	2-amino-6-bromo-3-fluorobenzoic acid
InChI	InChI=1S/C7H5BrFNO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key	VZFVWAWYEGYHJI-UHFFFAOYSA-N
MDL Number	MFCD12137185
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	O=C(O)C1=C(Br)C=CC(F)=C1N
Synonyms	2-amino-6-bromo-3-fluorobenzoic acid, 1153974-98-1, 2-Amino-6-bromo-3-fluorobenzoicAcid, AC1Q50PQ, SCHEMBL19816015, DTXSID00656167, KS-00000D0B, 2513AA, MFCD12137185, ZINC36752561, AKOS008135496, DS-5405, MCULE-7098375802, NE32743, AJ-93317, AK118809, SY037238, Benzoic acid, 2-amino-6-bromo-3-fluoro-, FT-0686205, EN300-64339, MFCD12137185 (95%), Z1259161876, C7H5BrFNO2, QC-4,

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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