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Home > Nitro Compounds > 146933-74-6
146933-74-6 | Benzene, triethyldinitro- (9CI)
CAS No: 146933-74-6 Catalog No: AG001EFX MDL No:
Product Description
Catalog Number:
AG001EFX
Chemical Name:
Benzene, triethyldinitro- (9CI)
CAS Number:
146933-74-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
1,2,3-triethyl-4,5-dinitrobenzene
InChI:
InChI=1S/C12H16N2O4/c1-4-8-7-11(13(15)16)12(14(17)18)10(6-3)9(8)5-2/h7H,4-6H2,1-3H3
InChI Key:
POFQDIGYANWWMR-UHFFFAOYSA-N
SMILES:
CCc1cc([N+](=O)[O-])c(c(c1CC)CC)[N+](=O)[O-]
Properties
Complexity:
310
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:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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