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115596-33-3 | 1-Naphthalenesulfonyl chloride, 5-cyano-
CAS No: 115596-33-3 Catalog No: AG000G7W MDL No:
Product Description
Catalog Number:
AG000G7W
Chemical Name:
1-Naphthalenesulfonyl chloride, 5-cyano-
CAS Number:
115596-33-3
Molecular Formula:
C11H6ClNO2S
Molecular Weight:
251.6888
IUPAC Name:
5-cyanonaphthalene-1-sulfonyl chloride
InChI:
InChI=1S/C11H6ClNO2S/c12-16(14,15)11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-6H
InChI Key:
XXURPAJCKUMTFG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cccc2S(=O)(=O)Cl
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.684g/mol
Monoisotopic Mass:
250.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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