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Home > Nitro Compounds > 74974-48-4
74974-48-4 | Thiocyanic acid, 1-nitrocyclohexyl ester
CAS No: 74974-48-4 Catalog No: AG005FYN MDL No:
Product Description
Catalog Number:
AG005FYN
Chemical Name:
Thiocyanic acid, 1-nitrocyclohexyl ester
CAS Number:
74974-48-4
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
IUPAC Name:
(1-nitrocyclohexyl) thiocyanate
InChI:
InChI=1S/C7H10N2O2S/c8-6-12-7(9(10)11)4-2-1-3-5-7/h1-5H2
InChI Key:
KOJSICFEMDHPBO-UHFFFAOYSA-N
SMILES:
N#CSC1(CCCCC1)[N+](=O)[O-]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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