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138617-82-0 | Naphthalene, 1-[(1R)-1-isothiocyanatoethyl]-
CAS No: 138617-82-0 Catalog No: AG0018WE MDL No:
Product Description
Catalog Number:
AG0018WE
Chemical Name:
Naphthalene, 1-[(1R)-1-isothiocyanatoethyl]-
CAS Number:
138617-82-0
Molecular Formula:
C13H11NS
Molecular Weight:
213.2981
IUPAC Name:
1-[(1R)-1-isothiocyanatoethyl]naphthalene
InChI:
InChI=1S/C13H11NS/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m1/s1
InChI Key:
PGJWLIIUEIYCSF-SNVBAGLBSA-N
SMILES:
S=C=N[C@@H](c1cccc2c1cccc2)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.298g/mol
Monoisotopic Mass:
213.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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