4-Fluoro-2-phenylaniline

CAT: 0127-PC1023973Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1717-22-2

MDL Number

MFCD12824065

Purity

95%

Smiles

C1 (ccc (c (c1) c1ccccc1) N) F

Chemical Information

4-Fluoro-2-phenylaniline

CAS Number	1717-22-2
PubChem CID	19089219
IUPAC Name	4-fluoro-2-phenylaniline
Molecular Formula	C12H10FN
Molecular Weight	187.21
XLogP	3.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	177

SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)F)N

InChI

InChI=1S/C12H10FN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,14H2

InChIKey

JDRKNEMJCQALHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1717-22-2

CID: 19089219

Formula: C12H10FN

MW: 187.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.21
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	187.079727485
Monoisotopic Mass	187.079727485
Topological Polar Surface Area	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1021467	3-Fluoro-4-phenylaniline
OR50982-01	4-Bromo-2-phenylaniline
OR80654-01	2,4-Dimethyl-N-phenylaniline
OR1004282-01	2,6-Dichloro-4-phenylaniline
OR55248-01	4-Methoxy-N-phenylaniline
OR92323-01	4- (Naphthalen-2-yl) -N-phenylaniline
OR1039940-01	4-Bromo-2-nitro-N-phenylaniline
OR1037709-01	4-Chloro-N-phenylaniline
OR1096196	5-Methyl-2-phenylaniline
OR75730-01	4-Bromo-N-phenylaniline

Catalog	Name
WWB91579-01	2-Fluoro-4-phenylaniline hydrochloride
DUA40355-01	2-Fluoro-5-phenylaniline
436510-01	5-Fluoro-2-nitro-N-phenylaniline
TXB38980-01	4- (Aminomethyl) -2-fluoro-N-methyl-N-phenylaniline hydrochloride
YCA00678	4-Chloro-2-phenylaniline
IJB68024-01	2-Iodo-4-phenylaniline
TRC-M356825-2.5G	4-Methyl-2-phenylaniline
XWB52148-01	2-Chloro-4-phenylaniline hydrochloride
sc-343439A	2,4-difluoro-6-phenylaniline
sc-482137	4-Octyl-N-phenylaniline