AG003I88

456-46-2 | 3-(Fluoromethyl)aniline

AG003I88

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CAS Number	456-46-2
Catalog Number	AG003I88(AGN-PC-00OE5R)
Chemical Name	3-(Fluoromethyl)aniline
IUPAC Name	3-(fluoromethyl)aniline
InChI	InChI=1S/C7H8FN/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,9H2
InChI Key	XKGDSQJAWPPBHI-UHFFFAOYSA-N
MDL Number	MFCD00466952
Molecular Formula	C7H8FN
Molecular Weight	125.1435
SMILES	NC1=CC=CC(CF)=C1
Synonyms	3-(Fluoromethyl)aniline, 456-46-2, Benzenamine, 3-(fluoromethyl)-, 3-(fluoromethyl)Benzenamine, 3-Fluoromethyl aniline, SCHEMBL1225353, 3-FLUOROMETHYL-PHENYLAMINE, XKGDSQJAWPPBHI-UHFFFAOYSA-N, 5712AJ, MFCD00466952, ZINC34189767, AKOS006364706, TRA0058510, AS-32328, DA-05713, SC-87555, SY026432, FT-0714798, Z-3720, MFCD00466952 (97+%), C7H8FN,

Complexity	85
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.064g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	125.146g/mol
Monoisotopic Mass	125.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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