AG001XYD

168268-00-6 | BenzenaMine, 3-fluoro-4-(phenylMethoxy)-

AG001XYD

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CAS Number	168268-00-6
Catalog Number	AG001XYD(AGN-PC-03I7I0)
Chemical Name	BenzenaMine, 3-fluoro-4-(phenylMethoxy)-
IUPAC Name	3-fluoro-4-phenylmethoxyaniline
InChI	InChI=1S/C13H12FNO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChI Key	XLEYXHRMSUPJST-UHFFFAOYSA-N
MDL Number	MFCD08686866
Molecular Formula	C13H12FNO
Molecular Weight	217.2389
SMILES	NC1=CC=C(OCC2=CC=CC=C2)C(F)=C1
Synonyms	4-(BENZYLOXY)-3-FLUOROANILINE, 168268-00-6, 4-benzyloxy-3-fluoroaniline, SCHEMBL371725, 3-fluoro-4-phenylmethoxyaniline, CTK7D6776, DTXSID30620659, XLEYXHRMSUPJST-UHFFFAOYSA-N, MFCD08686866, ZINC14630626, AKOS000318393, 4-BENZYLOXY-3-FLUORO-PHENYLAMINE, AJ-65107, AK126368, Benzenamine, 3-fluoro-4-(phenylmethoxy)-, 4-(benzyloxy)-3-fluoroaniline, AldrichCPR, BB 0241802, 4-(BENZYLOXY)-3-FLUOROANILINE HYDROCHLORIDE,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.243g/mol
Monoisotopic Mass	217.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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