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Home > Other Heterocycles > 86239-97-6
86239-97-6 | Bicyclo[2.2.1]heptane, 2-isothiocyanato-2,3,3-trimethyl-
CAS No: 86239-97-6 Catalog No: AG004JTG MDL No:
Product Description
Catalog Number:
AG004JTG
Chemical Name:
Bicyclo[2.2.1]heptane, 2-isothiocyanato-2,3,3-trimethyl-
CAS Number:
86239-97-6
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
IUPAC Name:
2-isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C11H17NS/c1-10(2)8-4-5-9(6-8)11(10,3)12-7-13/h8-9H,4-6H2,1-3H3
InChI Key:
JPUCWJZXLGZCHP-UHFFFAOYSA-N
SMILES:
S=C=NC1(C)C2CCC(C1(C)C)C2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.108g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.324g/mol
Monoisotopic Mass:
195.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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