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844856-54-8 | 3-Bromo-3'-methylbiphenyl
CAS No: 844856-54-8 Catalog No: AG01EXP6 MDL No:
Product Description
Catalog Number:
AG01EXP6
Chemical Name:
3-Bromo-3'-methylbiphenyl
CAS Number:
844856-54-8
Molecular Formula:
C13H11Br
Molecular Weight:
247.1304
IUPAC Name:
1-bromo-3-(3-methylphenyl)benzene
InChI:
InChI=1S/C13H11Br/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12/h2-9H,1H3
InChI Key:
VIXCLEUVOBRQQI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1cccc(c1)Br
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.135g/mol
Monoisotopic Mass:
246.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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