AG006WDD

500-41-4 | 3-Fluorodiphenylamine

AG006WDD

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CAS Number	500-41-4
Catalog Number	AG006WDD(AGN-PC-0KKW6C)
Chemical Name	3-Fluorodiphenylamine
IUPAC Name	3-fluoro-N-phenylaniline
InChI	InChI=1S/C12H10FN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChI Key	YALRBUHWXPELQP-UHFFFAOYSA-N
MDL Number	MFCD03094201
Molecular Formula	C12H10FN
Molecular Weight	187.2129
SMILES	FC1=CC(NC2=CC=CC=C2)=CC=C1
Synonyms	3-Fluorodiphenylamine, 3-fluoro-N-phenylaniline, 500-41-4, Benzenamine, 3-fluoro-N-phenyl-, 3-fluorophenylaniline, AC1MCOHG, N-Phenyl-3-fluoroaniline, N-(3-Fluorophenyl)aniline, (3-fluorophenyl)phenylamine, 3-fluoranyl-N-phenyl-aniline, SCHEMBL1118619, CTK8F5049, DTXSID00379046, YALRBUHWXPELQP-UHFFFAOYSA-N, KS-00003R9L, ZINC2243137, MFCD03094201, SBB090584, AKOS006230218, MCULE-3490893087, NE49763, PS-8458, AJ-34216, AB0006616, A827944, Z1456129326, ZINC02243137, CID2774466,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.08g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.217g/mol
Monoisotopic Mass	187.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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