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Home > Nitro Compounds > 827340-51-2
827340-51-2 | 1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis[(phenylmethoxy)methyl]-
CAS No: 827340-51-2 Catalog No: AG004ZPU MDL No:
Product Description
Catalog Number:
AG004ZPU
Chemical Name:
1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis[(phenylmethoxy)methyl]-
CAS Number:
827340-51-2
Molecular Formula:
C28H24N2O6
Molecular Weight:
484.5000
IUPAC Name:
2-nitro-4-[3-nitro-4-(phenylmethoxymethyl)phenyl]-1-(phenylmethoxymethyl)benzene
InChI:
InChI=1S/C28H24N2O6/c31-29(32)27-15-23(11-13-25(27)19-35-17-21-7-3-1-4-8-21)24-12-14-26(28(16-24)30(33)34)20-36-18-22-9-5-2-6-10-22/h1-16H,17-20H2
InChI Key:
GEPASXJXHFBGHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1COCc1ccccc1)c1ccc(c(c1)[N+](=O)[O-])COCc1ccccc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.163g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.508g/mol
Monoisotopic Mass:
484.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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