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Home > Nitro Compounds > 113680-28-7
113680-28-7 | Benzene, 2-cyclopropyl-5-(1-methylethyl)-1,3-dinitro-
CAS No: 113680-28-7 Catalog No: AG0009A4 MDL No:
Product Description
Catalog Number:
AG0009A4
Chemical Name:
Benzene, 2-cyclopropyl-5-(1-methylethyl)-1,3-dinitro-
CAS Number:
113680-28-7
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
2-cyclopropyl-1,3-dinitro-5-propan-2-ylbenzene
InChI:
InChI=1S/C12H14N2O4/c1-7(2)9-5-10(13(15)16)12(8-3-4-8)11(6-9)14(17)18/h5-8H,3-4H2,1-2H3
InChI Key:
MNUYANFZNQSOCQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C1CC1)[N+](=O)[O-])C(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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