Home Fluorides 456-46-2
456-46-2,MFCD00466952
Catalog No.:AA003I5G
456-46-2 | 3-(Fluoromethyl)aniline
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1g
97%
1 week  
$265.00   $185.00
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Technical Information
Catalog Number:
AA003I5G
Chemical Name:
3-(Fluoromethyl)aniline
CAS Number:
456-46-2
Molecular Formula:
C7H8FN
Molecular Weight:
125.1435
MDL Number:
MFCD00466952
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
SMILES:
FCc1cccc(c1)N
Properties
Computed Properties
 
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  

Synonyms
 
3-(Fluoromethyl)aniline 
456-46-2 
ZINC34189767 
AKOS006364706 
TRA0058510 
AS-32328 
DA-05713 
SC-87555 
SY026432 
FT-0714798 
Z-3720 
MFCD00466952 (97+%) 
Benzenamine, 3-(fluoromethyl)- 
C7H8FN 
3-(fluoromethyl)Benzenamine 
3-Fluoromethyl aniline 
SCHEMBL1225353 
3-FLUOROMETHYL-PHENYLAMINE 
XKGDSQJAWPPBHI-UHFFFAOYSA-N 
5712AJ 
MFCD00466952 
Literature
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