AG000OM6

1257535-28-6 | 3-Bromo-4-fluoroaniline, HCl

AG000OM6

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CAS Number	1257535-28-6
Catalog Number	AG000OM6(AGN-PC-0WA87U)
Chemical Name	3-Bromo-4-fluoroaniline, HCl
IUPAC Name	3-bromo-4-fluoroaniline;hydrochloride
InChI	InChI=1S/C6H5BrFN.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3H,9H2;1H
InChI Key	ZAEAEYNIWJNVNQ-UHFFFAOYSA-N
MDL Number	MFCD17676085
Molecular Formula	C6H6BrClFN
Molecular Weight	226.4739
SMILES	NC1=CC=C(F)C(Br)=C1.[H]Cl
Synonyms	3-Bromo-4-fluoroaniline hydrochloride, 1257535-28-6, 3-Bromo-4-fluoroaniline HCl, 1-Amino-3-bromo-4-fluorobenzene hydrochloride, 3-Bromo-4-fluoroaniline, HCl, ZX-AP010567, MFCD17676085, AKOS015907864, AS03685, PC10645, AK-54906, ST24041867, Z8976, B-6780, Benzenamine, 3-bromo-4-fluoro-, hydrochloride (1:1), I14-25204, C6H5BrFN.HCl,

Complexity	99.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.936g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.473g/mol
Monoisotopic Mass	224.936g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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