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Home > Nitro Compounds > 20444-30-8
20444-30-8 | Benzene, 1,5-bis(1,1-dimethylethyl)-3-methyl-2-nitro-
CAS No: 20444-30-8 Catalog No: AG0029IB MDL No:
Product Description
Catalog Number:
AG0029IB
Chemical Name:
Benzene, 1,5-bis(1,1-dimethylethyl)-3-methyl-2-nitro-
CAS Number:
20444-30-8
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
1,5-ditert-butyl-3-methyl-2-nitrobenzene
InChI:
InChI=1S/C15H23NO2/c1-10-8-11(14(2,3)4)9-12(15(5,6)7)13(10)16(17)18/h8-9H,1-7H3
InChI Key:
UCVSJXYHULELEZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cc(cc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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