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Home > Nitro Compounds > 88382-59-6
88382-59-6 | Benzene, (2-nitrohexyl)-
CAS No: 88382-59-6 Catalog No: AG004ILY MDL No:
Product Description
Catalog Number:
AG004ILY
Chemical Name:
Benzene, (2-nitrohexyl)-
CAS Number:
88382-59-6
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
2-nitrohexylbenzene
InChI:
InChI=1S/C12H17NO2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChI Key:
PUILHYHESRDWHX-UHFFFAOYSA-N
SMILES:
CCCCC([N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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