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113660-21-2 | 1-Naphthalenol, 2-[(3-chloro-2-hydroxypropyl)thio]-
CAS No: 113660-21-2 Catalog No: AG00098Z MDL No:
Product Description
Catalog Number:
AG00098Z
Chemical Name:
1-Naphthalenol, 2-[(3-chloro-2-hydroxypropyl)thio]-
CAS Number:
113660-21-2
Molecular Formula:
C13H13ClO2S
Molecular Weight:
268.7591
IUPAC Name:
2-(3-chloro-2-hydroxypropyl)sulfanylnaphthalen-1-ol
InChI:
InChI=1S/C13H13ClO2S/c14-7-10(15)8-17-12-6-5-9-3-1-2-4-11(9)13(12)16/h1-6,10,15-16H,7-8H2
InChI Key:
NNOAQYUQYGTSCV-UHFFFAOYSA-N
SMILES:
ClCC(CSc1ccc2c(c1O)cccc2)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.755g/mol
Monoisotopic Mass:
268.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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