AG00334W

500357-40-4 | 2-bromo-3,5-difluoroaniline

AG00334W

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CAS Number	500357-40-4
Catalog Number	AG00334W(AGN-PC-0JO2L3)
Chemical Name	2-bromo-3,5-difluoroaniline
IUPAC Name	2-bromo-3,5-difluoroaniline
InChI	InChI=1S/C6H4BrF2N/c7-6-4(9)1-3(8)2-5(6)10/h1-2H,10H2
InChI Key	LNRJKFKNFNIMTM-UHFFFAOYSA-N
MDL Number	MFCD00236593
Molecular Formula	C6H4BrF2N
Molecular Weight	208.0035
NSC Number	113318
SMILES	BrC1=C(N)C=C(C=C1F)F
Synonyms	2-bromo-3,5-difluoroaniline, 500357-40-4, Benzenamine, 2-bromo-3,5-difluoro-, NSC113318, 2-bromo-3,5-difluoro-aniline, AC1L6P68, SCHEMBL9154640, CTK1G9176, DTXSID40297038, ACT11423, KS-000010JZ, ZINC1704162, MFCD16661040, AKOS027254602, AM62013, CM11284, NE25381, NSC-113318, AK205126, AN-14811, AS-33014, DB-071089, FT-0655387, A19729, 4-Bromo-3,5-difluoroaniline, 4-bromo-3,5-difluoro-phenylamine, CID270688,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.95g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.006g/mol
Monoisotopic Mass	206.95g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^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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