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Home > Fluorides > 898774-83-9
898774-83-9 | 2-Pyrrolidinomethyl-4'-trifluoromethylbenzophenone
CAS No: 898774-83-9 Catalog No: AG01EYWB MDL No:
Product Description
Catalog Number:
AG01EYWB
Chemical Name:
2-Pyrrolidinomethyl-4'-trifluoromethylbenzophenone
CAS Number:
898774-83-9
Molecular Formula:
C19H18F3NO
Molecular Weight:
333.3475
IUPAC Name:
[2-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C19H18F3NO/c20-19(21,22)16-9-7-14(8-10-16)18(24)17-6-2-1-5-15(17)13-23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2
InChI Key:
ANCOURQSNRSBFP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1CN1CCCC1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.354g/mol
Monoisotopic Mass:
333.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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