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844856-40-2 | 3-Bromo-4'-(methylthio)biphenyl
CAS No: 844856-40-2 Catalog No: AG01EXP0 MDL No:
Product Description
Catalog Number:
AG01EXP0
Chemical Name:
3-Bromo-4'-(methylthio)biphenyl
CAS Number:
844856-40-2
Molecular Formula:
C13H11BrS
Molecular Weight:
279.1954
IUPAC Name:
1-bromo-3-(4-methylsulfanylphenyl)benzene
InChI:
InChI=1S/C13H11BrS/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9H,1H3
InChI Key:
VMXDLPFTWKCTBA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(c1)Br
Properties
Complexity:
187
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:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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