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157469-21-1 | Benzene, (10-isothiocyanatodecyl)-
CAS No: 157469-21-1 Catalog No: AG001PH2 MDL No:
Product Description
Catalog Number:
AG001PH2
Chemical Name:
Benzene, (10-isothiocyanatodecyl)-
CAS Number:
157469-21-1
Molecular Formula:
C17H25NS
Molecular Weight:
275.4521
IUPAC Name:
10-isothiocyanatodecylbenzene
InChI:
InChI=1S/C17H25NS/c19-16-18-15-11-6-4-2-1-3-5-8-12-17-13-9-7-10-14-17/h7,9-10,13-14H,1-6,8,11-12,15H2
InChI Key:
YBYYJVWCELMDBH-UHFFFAOYSA-N
SMILES:
S=C=NCCCCCCCCCCc1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.171g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.454g/mol
Monoisotopic Mass:
275.171g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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