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2942-14-5 | Benzothiazole, 5-methoxy-
CAS No: 2942-14-5 Catalog No: AG002YBW MDL No:MFCD06659660
Product Description
Catalog Number:
AG002YBW
Chemical Name:
Benzothiazole, 5-methoxy-
CAS Number:
2942-14-5
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD06659660
IUPAC Name:
5-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C8H7NOS/c1-10-6-2-3-8-7(4-6)9-5-11-8/h2-5H,1H3
InChI Key:
PNJKZDLZKILFNF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ncs2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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