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87682-47-1 | 1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro-
CAS No: 87682-47-1 Catalog No: AG004GXZ MDL No:
Product Description
Catalog Number:
AG004GXZ
Chemical Name:
1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro-
CAS Number:
87682-47-1
Molecular Formula:
C12H6Br2N2O4
Molecular Weight:
401.9950
IUPAC Name:
2-bromo-1-(2-bromo-5-nitrophenyl)-3-nitrobenzene
InChI:
InChI=1S/C12H6Br2N2O4/c13-10-5-4-7(15(17)18)6-9(10)8-2-1-3-11(12(8)14)16(19)20/h1-6H
InChI Key:
JOYPQMCWIABPNQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1c1cccc(c1Br)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.867g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.998g/mol
Monoisotopic Mass:
399.869g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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