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100375-00-6 | Benzene, 1-bromo-4-[(phenylsulfinyl)methyl]-
CAS No: 100375-00-6 Catalog No: AG0001TO MDL No:
Product Description
Catalog Number:
AG0001TO
Chemical Name:
Benzene, 1-bromo-4-[(phenylsulfinyl)methyl]-
CAS Number:
100375-00-6
Molecular Formula:
C13H11BrOS
Molecular Weight:
295.1948
IUPAC Name:
1-(benzenesulfinylmethyl)-4-bromobenzene
InChI:
InChI=1S/C13H11BrOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h1-9H,10H2
InChI Key:
QKSPRFWFDICJPJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CS(=O)c1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.194g/mol
Monoisotopic Mass:
293.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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