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Home > Fluorides > 951887-65-3
951887-65-3 | 3,4-Difluoro-4'-n-pentylbenzophenone
CAS No: 951887-65-3 Catalog No: AG01EZQY MDL No:
Product Description
Catalog Number:
AG01EZQY
Chemical Name:
3,4-Difluoro-4'-n-pentylbenzophenone
CAS Number:
951887-65-3
Molecular Formula:
C18H18F2O
Molecular Weight:
288.3317
IUPAC Name:
(3,4-difluorophenyl)-(4-pentylphenyl)methanone
InChI:
InChI=1S/C18H18F2O/c1-2-3-4-5-13-6-8-14(9-7-13)18(21)15-10-11-16(19)17(20)12-15/h6-12H,2-5H2,1H3
InChI Key:
NZPSXTBCWOGQDT-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1ccc(c(c1)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:
288.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.338g/mol
Monoisotopic Mass:
288.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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