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Home > Nitro Compounds > 89646-76-4
89646-76-4 | 2-Heptanol, 3-ethyl-1-nitro-1-(phenylseleno)-
CAS No: 89646-76-4 Catalog No: AG003VK3 MDL No:
Product Description
Catalog Number:
AG003VK3
Chemical Name:
2-Heptanol, 3-ethyl-1-nitro-1-(phenylseleno)-
CAS Number:
89646-76-4
Molecular Formula:
C15H23NO3Se
Molecular Weight:
344.3080
IUPAC Name:
3-ethyl-1-nitro-1-phenylselanylheptan-2-ol
InChI:
InChI=1S/C15H23NO3Se/c1-3-5-9-12(4-2)14(17)15(16(18)19)20-13-10-7-6-8-11-13/h6-8,10-12,14-15,17H,3-5,9H2,1-2H3
InChI Key:
NTWMMZYAVGZUDR-UHFFFAOYSA-N
SMILES:
CCCCC(C(C([N+](=O)[O-])[Se]c1ccccc1)O)CC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.324g/mol
Monoisotopic Mass:
345.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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