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22943-93-7 | Benzene, 1-chloro-4-(4-isothiocyanatophenoxy)-
CAS No: 22943-93-7 Catalog No: AG002LLW MDL No:
Product Description
Catalog Number:
AG002LLW
Chemical Name:
Benzene, 1-chloro-4-(4-isothiocyanatophenoxy)-
CAS Number:
22943-93-7
Molecular Formula:
C13H8ClNOS
Molecular Weight:
261.7267
IUPAC Name:
1-chloro-4-(4-isothiocyanatophenoxy)benzene
InChI:
InChI=1S/C13H8ClNOS/c14-10-1-5-12(6-2-10)16-13-7-3-11(4-8-13)15-9-17/h1-8H
InChI Key:
NLAYRKIDNWMFAH-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)Oc1ccc(cc1)Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.723g/mol
Monoisotopic Mass:
261.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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