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76995-70-5 | 1-Naphthalenol, 2-(2-benzothiazolyl)-
CAS No: 76995-70-5 Catalog No: AG005F8L MDL No:
Product Description
Catalog Number:
AG005F8L
Chemical Name:
1-Naphthalenol, 2-(2-benzothiazolyl)-
CAS Number:
76995-70-5
Molecular Formula:
C17H11NOS
Molecular Weight:
277.3403
IUPAC Name:
2-(1,3-benzothiazol-2-yl)naphthalen-1-ol
InChI:
InChI=1S/C17H11NOS/c19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17/h1-10,19H
InChI Key:
PBECOBMZTYXROG-UHFFFAOYSA-N
SMILES:
Oc1c(ccc2c1cccc2)c1nc2c(s1)cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.341g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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