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Home > Fluorides > 951886-09-2
951886-09-2 | 4-tert-Butyl-3'-fluoro-4'-methoxybenzophenone
CAS No: 951886-09-2 Catalog No: AG01EZO9 MDL No:
Product Description
Catalog Number:
AG01EZO9
Chemical Name:
4-tert-Butyl-3'-fluoro-4'-methoxybenzophenone
CAS Number:
951886-09-2
Molecular Formula:
C18H19FO2
Molecular Weight:
286.3407
IUPAC Name:
(4-tert-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
InChI:
InChI=1S/C18H19FO2/c1-18(2,3)14-8-5-12(6-9-14)17(20)13-7-10-16(21-4)15(19)11-13/h5-11H,1-4H3
InChI Key:
YGMSJXBACVRDCM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.346g/mol
Monoisotopic Mass:
286.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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