AG000X23

127408-03-1 | Benzenamine, 4-bromo-3-fluoro-2-methyl-

AG000X23

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CAS Number	127408-03-1
Catalog Number	AG000X23(AGN-PC-0WCRCO)
Chemical Name	Benzenamine, 4-bromo-3-fluoro-2-methyl-
IUPAC Name	4-bromo-3-fluoro-2-methylaniline
InChI	InChI=1S/C7H7BrFN/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
InChI Key	HOFKRNFFIGAFNE-UHFFFAOYSA-N
MDL Number	MFCD09800761
Molecular Formula	C7H7BrFN
Molecular Weight	204.0396
SMILES	NC1=CC=C(Br)C(F)=C1C
Synonyms	4-Bromo-3-fluoro-2-methylaniline, 127408-03-1, SCHEMBL150967, HOFKRNFFIGAFNE-UHFFFAOYSA-N, MFCD09800761, ZINC15443750, AKOS023126647, CS-W007186, AS-35877, Benzenamine, 4-bromo-3-fluoro-2-methyl-, ST24043420, A1-04008, Z1741967647, 4-bromo-3-fluoro-2-methylBenzenamine,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.975g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.042g/mol
Monoisotopic Mass	202.975g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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