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211615-07-5 | 1-Bromo-3-(phenylsulfanylmethyl)benzene
CAS No: 211615-07-5 Catalog No: AG01EUIJ MDL No:
Product Description
Catalog Number:
AG01EUIJ
Chemical Name:
1-Bromo-3-(phenylsulfanylmethyl)benzene
CAS Number:
211615-07-5
Molecular Formula:
C13H11BrS
Molecular Weight:
279.1954
IUPAC Name:
1-bromo-3-(phenylsulfanylmethyl)benzene
InChI:
InChI=1S/C13H11BrS/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10H2
InChI Key:
SOGYZFXXJKBABD-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CSc1ccccc1
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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