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17660-77-4 | Phenanthrene, 9-(isothiocyanatomethyl)-
CAS No: 17660-77-4 Catalog No: AG0024SJ MDL No:
Product Description
Catalog Number:
AG0024SJ
Chemical Name:
Phenanthrene, 9-(isothiocyanatomethyl)-
CAS Number:
17660-77-4
Molecular Formula:
C16H11NS
Molecular Weight:
249.3302
IUPAC Name:
9-(isothiocyanatomethyl)phenanthrene
InChI:
InChI=1S/C16H11NS/c18-11-17-10-13-9-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-9H,10H2
InChI Key:
PPXLSNLFTUJTLD-UHFFFAOYSA-N
SMILES:
S=C=NCc1cc2ccccc2c2c1cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.331g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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