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Home > Nitro Compounds > 2137605-37-7
2137605-37-7 | 1-(2-methylbutan-2-yl)-2,4-dinitrobenzene
CAS No: 2137605-37-7 Catalog No: AG01EIRU MDL No:MFCD31457083
Product Description
Catalog Number:
AG01EIRU
Chemical Name:
1-(2-methylbutan-2-yl)-2,4-dinitrobenzene
CAS Number:
2137605-37-7
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD31457083
IUPAC Name:
1-(2-methylbutan-2-yl)-2,4-dinitrobenzene
InChI:
InChI=1S/C11H14N2O4/c1-4-11(2,3)9-6-5-8(12(14)15)7-10(9)13(16)17/h5-7H,4H2,1-3H3
InChI Key:
FCISIOORPIFQLL-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1N(=O)=O)N(=O)=O)(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:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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