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64513-30-0 | 2-Benzothiazoleacetonitrile,6-methoxy-(9CI)
CAS No: 64513-30-0 Catalog No: AG00EOPO MDL No:
Product Description
Catalog Number:
AG00EOPO
Chemical Name:
2-Benzothiazoleacetonitrile,6-methoxy-(9CI)
CAS Number:
64513-30-0
IUPAC Name:
2-(6-methoxy-1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H8N2OS/c1-13-7-2-3-8-9(6-7)14-10(12-8)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
WOWQRLIMZOTWJV-UHFFFAOYSA-N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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