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Home > Nitro Compounds > 74199-69-2
74199-69-2 | 1,1'-Biphenyl,2,2',4,4'-tetramethyl-6,6'-dinitro-
CAS No: 74199-69-2 Catalog No: AG005DDY MDL No:
Product Description
Catalog Number:
AG005DDY
Chemical Name:
1,1'-Biphenyl,2,2',4,4'-tetramethyl-6,6'-dinitro-
CAS Number:
74199-69-2
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
2-(2,4-dimethyl-6-nitrophenyl)-1,5-dimethyl-3-nitrobenzene
InChI:
InChI=1S/C16H16N2O4/c1-9-5-11(3)15(13(7-9)17(19)20)16-12(4)6-10(2)8-14(16)18(21)22/h5-8H,1-4H3
InChI Key:
DXHBRUJCHLGPGM-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)[N+](=O)[O-])c1c(C)cc(cc1[N+](=O)[O-])C
NSC Number:
18879
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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