AG0000QS

1000577-24-1 | Benzenamine, 2-bromo-3,4,5-trifluoro-

AG0000QS

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CAS Number	1000577-24-1
Catalog Number	AG0000QS(AGN-PC-0NMP7N)
Chemical Name	Benzenamine, 2-bromo-3,4,5-trifluoro-
IUPAC Name	2-bromo-3,4,5-trifluoroaniline
InChI	InChI=1S/C6H3BrF3N/c7-4-3(11)1-2(8)5(9)6(4)10/h1H,11H2
InChI Key	DHBSROPCTQUZQS-UHFFFAOYSA-N
MDL Number	MFCD01311010
Molecular Formula	C6H3BrF3N
Molecular Weight	225.9939
SMILES	NC1=C(Br)C(F)=C(F)C(F)=C1
Synonyms	2-Bromo-3,4,5-trifluoroaniline, 1000577-24-1, 2,3,4-Trifluoro-6-aminobromobenzene, Benzenamine, 2-bromo-3,4,5-trifluoro-, SCHEMBL1726754, CTK8C1065, DTXSID20650223, 0070AA, ANW-65818, MFCD01311010, ZINC15443794, AKOS016005409, AM61263, FS-4726, AJ-67514, TC-154563, C6H3BrF3N,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.94g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.996g/mol
Monoisotopic Mass	224.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number