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Home > Bromides > 1405882-47-4
1405882-47-4 | 1-Bromo-2-[(3-chlorophenyl)sulfanylmethyl]benzene
CAS No: 1405882-47-4 Catalog No: AG01ETRX MDL No:
Product Description
Catalog Number:
AG01ETRX
Chemical Name:
1-Bromo-2-[(3-chlorophenyl)sulfanylmethyl]benzene
CAS Number:
1405882-47-4
Molecular Formula:
C13H10BrClS
Molecular Weight:
313.6405
IUPAC Name:
1-bromo-2-[(3-chlorophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H10BrClS/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h1-8H,9H2
InChI Key:
AVQBJJLOAGVDNF-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)SCc1ccccc1Br
Properties
Complexity:
212
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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