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166037-38-3 | Benzene, 1-(bromomethyl)-2-[(phenylmethyl)thio]-
CAS No: 166037-38-3 Catalog No: AG001WGN MDL No:
Product Description
Catalog Number:
AG001WGN
Chemical Name:
Benzene, 1-(bromomethyl)-2-[(phenylmethyl)thio]-
CAS Number:
166037-38-3
Molecular Formula:
C14H13BrS
Molecular Weight:
293.2220
IUPAC Name:
1-benzylsulfanyl-2-(bromomethyl)benzene
InChI:
InChI=1S/C14H13BrS/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
GHQBTCQUCXBVTB-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1SCc1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.222g/mol
Monoisotopic Mass:
291.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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