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101670-65-9 | Naphthalene, 1-chloro-4-isothiocyanato-
CAS No: 101670-65-9 Catalog No: AG00054U MDL No:
Product Description
Catalog Number:
AG00054U
Chemical Name:
Naphthalene, 1-chloro-4-isothiocyanato-
CAS Number:
101670-65-9
Molecular Formula:
C11H6ClNS
Molecular Weight:
219.6900
IUPAC Name:
1-chloro-4-isothiocyanatonaphthalene
InChI:
InChI=1S/C11H6ClNS/c12-10-5-6-11(13-7-14)9-4-2-1-3-8(9)10/h1-6H
InChI Key:
KMDNKLRJLQTHPA-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c2c1cccc2)Cl
NSC Number:
172889
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.686g/mol
Monoisotopic Mass:
218.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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