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Home > Nitro Compounds > 114324-70-8
114324-70-8 | 1,1'-Biphenyl, 5,5'-dimethyl-2,2'-dinitro-
CAS No: 114324-70-8 Catalog No: AG000B3V MDL No:
Product Description
Catalog Number:
AG000B3V
Chemical Name:
1,1'-Biphenyl, 5,5'-dimethyl-2,2'-dinitro-
CAS Number:
114324-70-8
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
4-methyl-2-(5-methyl-2-nitrophenyl)-1-nitrobenzene
InChI:
InChI=1S/C14H12N2O4/c1-9-3-5-13(15(17)18)11(7-9)12-8-10(2)4-6-14(12)16(19)20/h3-8H,1-2H3
InChI Key:
YQCPLBJIOFDPLM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)c1cc(C)ccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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