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Home > Nitro Compounds > 126661-13-0
126661-13-0 | Benzene, 1-nitro-4-(1-nitropropyl)-
CAS No: 126661-13-0 Catalog No: AG000T1M MDL No:
Product Description
Catalog Number:
AG000T1M
Chemical Name:
Benzene, 1-nitro-4-(1-nitropropyl)-
CAS Number:
126661-13-0
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
1-nitro-4-(1-nitropropyl)benzene
InChI:
InChI=1S/C9H10N2O4/c1-2-9(11(14)15)7-3-5-8(6-4-7)10(12)13/h3-6,9H,2H2,1H3
InChI Key:
VLMYGZZWXFYHEL-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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