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127567-57-1 | Naphthalene, 1-[(4-chlorophenyl)thio]-
CAS No: 127567-57-1 Catalog No: AG000X5Z MDL No:
Product Description
Catalog Number:
AG000X5Z
Chemical Name:
Naphthalene, 1-[(4-chlorophenyl)thio]-
CAS Number:
127567-57-1
Molecular Formula:
C16H11ClS
Molecular Weight:
270.7765
IUPAC Name:
1-(4-chlorophenyl)sulfanylnaphthalene
InChI:
InChI=1S/C16H11ClS/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChI Key:
QELZWGMHNLTPBS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1cccc2c1cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.774g/mol
Monoisotopic Mass:
270.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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