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951885-44-2 | 2-Bromo-4'-(ethylthio)benzophenone
CAS No: 951885-44-2 Catalog No: AG01EZNF MDL No:
Product Description
Catalog Number:
AG01EZNF
Chemical Name:
2-Bromo-4'-(ethylthio)benzophenone
CAS Number:
951885-44-2
Molecular Formula:
C15H13BrOS
Molecular Weight:
321.2321
IUPAC Name:
(2-bromophenyl)-(4-ethylsulfanylphenyl)methanone
InChI:
InChI=1S/C15H13BrOS/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
InChI Key:
ADICNTWFPGVJRE-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)C(=O)c1ccccc1Br
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.987g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.232g/mol
Monoisotopic Mass:
319.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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