AG009G13

1374208-42-0 | 2-Amino-4-bromo-5-fluorobenzoic acid

AG009G13

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CAS Number	1374208-42-0
Catalog Number	AG009G13(AGN-PC-0WAJJQ)
Chemical Name	2-Amino-4-bromo-5-fluorobenzoic acid
IUPAC Name	2-amino-4-bromo-5-fluorobenzoic acid
InChI	InChI=1S/C7H5BrFNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)
InChI Key	ACAXDURFMBWUGX-UHFFFAOYSA-N
MDL Number	MFCD08702774
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	O=C(O)C1=CC(F)=C(Br)C=C1N
Synonyms	2-amino-4-bromo-5-fluorobenzoic acid, 1374208-42-0, 2-Amino-4-bromo-5-fluoro-benzoic acid, Intermediates-ZCF02282, SCHEMBL2726898, KS-00000LFO, ACAXDURFMBWUGX-UHFFFAOYSA-N, MFCD08702774, ZINC97447181, AKOS027338929, AS06892, 3-fluoro-4-bromo-6-amino-benzoic acid, 4 bromo 5 fluoro 2 amino benzoic acid, 4?bromo?5?fluoro?2?amino?benzoic?acid, AK341393, DA-45557, DS-12271, SY115953, CS-0036807, FT-0729383, MFCD08702774 (95%), Z2230911826, 10,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine,

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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