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Home > Fluorides > 951886-87-6
951886-87-6 | 4-tert-Butyl-3'-fluoro-5'-methylbenzophenone
CAS No: 951886-87-6 Catalog No: AG01EZPP MDL No:
Product Description
Catalog Number:
AG01EZPP
Chemical Name:
4-tert-Butyl-3'-fluoro-5'-methylbenzophenone
CAS Number:
951886-87-6
Molecular Formula:
C18H19FO
Molecular Weight:
270.3413
IUPAC Name:
(4-tert-butylphenyl)-(3-fluoro-5-methylphenyl)methanone
InChI:
InChI=1S/C18H19FO/c1-12-9-14(11-16(19)10-12)17(20)13-5-7-15(8-6-13)18(2,3)4/h5-11H,1-4H3
InChI Key:
QVUUEPGFVBUYGI-UHFFFAOYSA-N
SMILES:
Cc1cc(F)cc(c1)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.347g/mol
Monoisotopic Mass:
270.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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