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Home > Nitro Compounds > 21113-37-1
21113-37-1 | 1,1'-Biphenyl, 4,4',5,5'-tetramethyl-2,2'-dinitro-
CAS No: 21113-37-1 Catalog No: AG002L79 MDL No:
Product Description
Catalog Number:
AG002L79
Chemical Name:
1,1'-Biphenyl, 4,4',5,5'-tetramethyl-2,2'-dinitro-
CAS Number:
21113-37-1
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
1-(4,5-dimethyl-2-nitrophenyl)-4,5-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C16H16N2O4/c1-9-5-13(15(17(19)20)7-11(9)3)14-6-10(2)12(4)8-16(14)18(21)22/h5-8H,1-4H3
InChI Key:
KBOQTUPXYVEQJR-UHFFFAOYSA-N
SMILES:
Cc1cc(c2cc(C)c(cc2[N+](=O)[O-])C)c(cc1C)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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