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100397-85-1 | Benzene, 1-bromo-4-[[(4-chlorophenyl)thio]methyl]-
CAS No: 100397-85-1 Catalog No: AG0001W3 MDL No:
Product Description
Catalog Number:
AG0001W3
Chemical Name:
Benzene, 1-bromo-4-[[(4-chlorophenyl)thio]methyl]-
CAS Number:
100397-85-1
Molecular Formula:
C13H10BrClS
Molecular Weight:
313.6405
IUPAC Name:
1-bromo-4-[(4-chlorophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H10BrClS/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChI Key:
JWAJIOWSSUMBAZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SCc1ccc(cc1)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.938g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.637g/mol
Monoisotopic Mass:
311.938g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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