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13006-53-6 | 1-Bromo-2-(phenylsulfanylmethyl)benzene
CAS No: 13006-53-6 Catalog No: AG01ERZV MDL No:
Product Description
Catalog Number:
AG01ERZV
Chemical Name:
1-Bromo-2-(phenylsulfanylmethyl)benzene
CAS Number:
13006-53-6
Molecular Formula:
C13H11BrS
Molecular Weight:
279.1954
IUPAC Name:
1-bromo-2-(phenylsulfanylmethyl)benzene
InChI:
InChI=1S/C13H11BrS/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9H,10H2
InChI Key:
FYLAMJZUDZZFTN-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CSc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.195g/mol
Monoisotopic Mass:
277.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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