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3048-01-9 | Benzenemethanamine, 2-(trifluoromethyl)-
CAS No: 3048-01-9 Catalog No: AG00309V MDL No:MFCD00010297
Product Description
Catalog Number:
AG00309V
Chemical Name:
Benzenemethanamine, 2-(trifluoromethyl)-
CAS Number:
3048-01-9
Molecular Formula:
C8H8F3N
Molecular Weight:
175.1510
MDL Number:
MFCD00010297
IUPAC Name:
[2-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChI Key:
ZSKQIFWUTUZAGF-UHFFFAOYSA-N
SMILES:
NCc1ccccc1C(F)(F)F
EC Number:
221-258-2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.154g/mol
Monoisotopic Mass:
175.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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