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136649-26-8 | 1,1'-Biphenyl, 3-bromo-5-nitro-
CAS No: 136649-26-8 Catalog No: AG00126P MDL No:
Product Description
Catalog Number:
AG00126P
Chemical Name:
1,1'-Biphenyl, 3-bromo-5-nitro-
CAS Number:
136649-26-8
Molecular Formula:
C12H8BrNO2
Molecular Weight:
278.1014
IUPAC Name:
1-bromo-3-nitro-5-phenylbenzene
InChI:
InChI=1S/C12H8BrNO2/c13-11-6-10(7-12(8-11)14(15)16)9-4-2-1-3-5-9/h1-8H
InChI Key:
XMOHNTYISKAKNJ-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.105g/mol
Monoisotopic Mass:
276.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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