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951887-51-7 | 3-Bromo-4'-n-pentylbenzophenone
CAS No: 951887-51-7 Catalog No: AG01EZQO MDL No:
Product Description
Catalog Number:
AG01EZQO
Chemical Name:
3-Bromo-4'-n-pentylbenzophenone
CAS Number:
951887-51-7
Molecular Formula:
C18H19BrO
Molecular Weight:
331.2469
IUPAC Name:
(3-bromophenyl)-(4-pentylphenyl)methanone
InChI:
InChI=1S/C18H19BrO/c1-2-3-4-6-14-9-11-15(12-10-14)18(20)16-7-5-8-17(19)13-16/h5,7-13H,2-4,6H2,1H3
InChI Key:
GIEDWPNRKOMAMV-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1cccc(c1)Br
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.253g/mol
Monoisotopic Mass:
330.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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