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74375-57-8 | 2-Naphthalenol, 1-[[(5-chloro-2-benzothiazolyl)imino]methyl]-
CAS No: 74375-57-8 Catalog No: AG005LPV MDL No:
Product Description
Catalog Number:
AG005LPV
Chemical Name:
2-Naphthalenol, 1-[[(5-chloro-2-benzothiazolyl)imino]methyl]-
CAS Number:
74375-57-8
Molecular Formula:
C18H11ClN2OS
Molecular Weight:
338.8107
IUPAC Name:
1-[(5-chloro-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
InChI:
InChI=1S/C18H11ClN2OS/c19-12-6-8-17-15(9-12)21-18(23-17)20-10-14-13-4-2-1-3-11(13)5-7-16(14)22/h1-10,22H
InChI Key:
OHPDKGLDDGEJFM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(s2)N=Cc1c(O)ccc2c1cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.809g/mol
Monoisotopic Mass:
338.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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