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119561-23-8 | Benzenemethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
CAS No: 119561-23-8 Catalog No: AG000IY6 MDL No:
Product Description
Catalog Number:
AG000IY6
Chemical Name:
Benzenemethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
CAS Number:
119561-23-8
Molecular Formula:
C10H10F3N
Molecular Weight:
201.1883
IUPAC Name:
N-benzyl-1,1,1-trifluoropropan-2-imine
InChI:
InChI=1S/C10H10F3N/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
MYVITOFBNPFGNU-UHFFFAOYSA-N
SMILES:
CC(=NCc1ccccc1)C(F)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.192g/mol
Monoisotopic Mass:
201.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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