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27701-54-8 | 2-Hexanol, 1-iodo-, 2-nitrate
CAS No: 27701-54-8 Catalog No: AG002UJH MDL No:
Product Description
Catalog Number:
AG002UJH
Chemical Name:
2-Hexanol, 1-iodo-, 2-nitrate
CAS Number:
27701-54-8
Molecular Formula:
C6H12INO3
Molecular Weight:
273.0688
IUPAC Name:
1-iodohexan-2-ol;nitric acid
InChI:
InChI=1S/C6H13IO.HNO3/c1-2-3-4-6(8)5-7;2-1(3)4/h6,8H,2-5H2,1H3;(H,2,3,4)
InChI Key:
XRGVUIFBRCGLTQ-UHFFFAOYSA-N
SMILES:
CCCCC(O[N+](=O)[O-])CI
Properties
Complexity:
72.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.085g/mol
Monoisotopic Mass:
290.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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