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Home > Nitro Compounds > 71850-77-6
71850-77-6 | Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-
CAS No: 71850-77-6 Catalog No: AG005FFQ MDL No:
Product Description
Catalog Number:
AG005FFQ
Chemical Name:
Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-
CAS Number:
71850-77-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
1-tert-butyl-3,5-dimethyl-2,4-dinitrobenzene
InChI:
InChI=1S/C12H16N2O4/c1-7-6-9(12(3,4)5)11(14(17)18)8(2)10(7)13(15)16/h6H,1-5H3
InChI Key:
AOJWKPQIUREKNP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(cc1C(C)(C)C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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