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Home > Nitro Compounds > 15141-43-2
15141-43-2 | Benzene, 1,3-bis(1,1-dimethylethyl)-2-nitro-
CAS No: 15141-43-2 Catalog No: AG001NBI MDL No:
Product Description
Catalog Number:
AG001NBI
Chemical Name:
Benzene, 1,3-bis(1,1-dimethylethyl)-2-nitro-
CAS Number:
15141-43-2
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
1,3-ditert-butyl-2-nitrobenzene
InChI:
InChI=1S/C14H21NO2/c1-13(2,3)10-8-7-9-11(14(4,5)6)12(10)15(16)17/h7-9H,1-6H3
InChI Key:
CJSMVPPUTGLGBE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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