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101-23-5 | Benzenamine, N-phenyl-3-(trifluoromethyl)-
CAS No: 101-23-5 Catalog No: AG0003FM MDL No:MFCD00017998
Product Description
Catalog Number:
AG0003FM
Chemical Name:
Benzenamine, N-phenyl-3-(trifluoromethyl)-
CAS Number:
101-23-5
Molecular Formula:
C13H10F3N
Molecular Weight:
237.2204
MDL Number:
MFCD00017998
IUPAC Name:
N-phenyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H
InChI Key:
WJCRAVDPIMWFPG-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)Nc1ccccc1)(F)F
EC Number:
202-926-2
NSC Number:
50453
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.225g/mol
Monoisotopic Mass:
237.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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