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157469-20-0 | Benzene, (8-isothiocyanatoctyl)-
CAS No: 157469-20-0 Catalog No: AG001PH3 MDL No:
Product Description
Catalog Number:
AG001PH3
Chemical Name:
Benzene, (8-isothiocyanatoctyl)-
CAS Number:
157469-20-0
Molecular Formula:
C15H21NS
Molecular Weight:
247.3989
IUPAC Name:
8-isothiocyanatooctylbenzene
InChI:
InChI=1S/C15H21NS/c17-14-16-13-9-4-2-1-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,1-4,6,9-10,13H2
InChI Key:
ASHKCODNQLPFEF-UHFFFAOYSA-N
SMILES:
S=C=NCCCCCCCCc1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.4g/mol
Monoisotopic Mass:
247.139g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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