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136649-44-0 | 1,1'-Biphenyl, 3-bromo-5-iodo-
CAS No: 136649-44-0 Catalog No: AG00126N MDL No:
Product Description
Catalog Number:
AG00126N
Chemical Name:
1,1'-Biphenyl, 3-bromo-5-iodo-
CAS Number:
136649-44-0
Molecular Formula:
C12H8BrI
Molecular Weight:
359.0004
IUPAC Name:
1-bromo-3-iodo-5-phenylbenzene
InChI:
InChI=1S/C12H8BrI/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
InChI Key:
CIWAIMKQRNQGES-UHFFFAOYSA-N
SMILES:
Brc1cc(I)cc(c1)c1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.885g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.004g/mol
Monoisotopic Mass:
357.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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