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951888-33-8 | 2-Bromo-4'-(thiomethyl)benzophenone
CAS No: 951888-33-8 Catalog No: AG01EZS0 MDL No:
Product Description
Catalog Number:
AG01EZS0
Chemical Name:
2-Bromo-4'-(thiomethyl)benzophenone
CAS Number:
951888-33-8
Molecular Formula:
C14H11BrOS
Molecular Weight:
307.2055
IUPAC Name:
(2-bromophenyl)-(4-methylsulfanylphenyl)methanone
InChI:
InChI=1S/C14H11BrOS/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
InChI Key:
KEOVUBRJPDZRAX-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)c1ccccc1Br
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.205g/mol
Monoisotopic Mass:
305.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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