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41570-04-1 | 2-Naphthalenol, 1-(2,3-dihydro-2-benzothiazolyl)-
CAS No: 41570-04-1 Catalog No: AG0071TV MDL No:
Product Description
Catalog Number:
AG0071TV
Chemical Name:
2-Naphthalenol, 1-(2,3-dihydro-2-benzothiazolyl)-
CAS Number:
41570-04-1
Molecular Formula:
C17H13NOS
Molecular Weight:
279.3562
IUPAC Name:
1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol
InChI:
InChI=1S/C17H13NOS/c19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17/h1-10,17-19H
InChI Key:
WNQPJZWRNDYNNA-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1C1Nc3c(S1)cccc3)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:
279.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.357g/mol
Monoisotopic Mass:
279.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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