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88450-74-2 | Benzenemethanamine, N-[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 88450-74-2 Catalog No: AG004INU MDL No:
Product Description
Catalog Number:
AG004INU
Chemical Name:
Benzenemethanamine, N-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
88450-74-2
Molecular Formula:
C15H11F6N
Molecular Weight:
319.2450
IUPAC Name:
N-benzyl-3,5-bis(trifluoromethyl)aniline
InChI:
InChI=1S/C15H11F6N/c16-14(17,18)11-6-12(15(19,20)21)8-13(7-11)22-9-10-4-2-1-3-5-10/h1-8,22H,9H2
InChI Key:
QFTNTXCQGYYIEJ-UHFFFAOYSA-N
SMILES:
FC(c1cc(NCc2ccccc2)cc(c1)C(F)(F)F)(F)F
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.25g/mol
Monoisotopic Mass:
319.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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