AG00GRPJ

914225-61-9 | 3-Chloro-4-fluoro-5-(trifluoromethyl)aniline

AG00GRPJ

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CAS Number	914225-61-9
Catalog Number	AG00GRPJ(AGN-PC-05IXH7)
Chemical Name	3-Chloro-4-fluoro-5-(trifluoromethyl)aniline
IUPAC Name	3-chloro-4-fluoro-5-(trifluoromethyl)aniline
InChI	InChI=1S/C7H4ClF4N/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H,13H2
InChI Key	KAHNTLCBWGVHDY-UHFFFAOYSA-N
MDL Number	MFCD09033155
Molecular Formula	C7H4ClF4N
Molecular Weight	213.5600
SMILES	NC1=CC(C(F)(F)F)=C(F)C(Cl)=C1
Synonyms	3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE, 914225-61-9, AK140555, SCHEMBL1799126, CTK5G9553, DTXSID30652293, KAHNTLCBWGVHDY-UHFFFAOYSA-N, MFCD09033155, ZINC22001450, AKOS015964866, AS05327, CM11371, DS-7061, FCH1390610, AJ-80142, BC220303, 3-chloro-4-fluoro-5-trifluoromethylaniline, AX8085773, ST24042033, 3-CHLORO-4-FLUORO-5- ANILINE,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.997g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.56g/mol
Monoisotopic Mass	212.997g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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