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157764-02-8 | 2-Benzothiazoleacetonitrile,4-methoxy-(9CI)
CAS No: 157764-02-8 Catalog No: AG00AUWC MDL No:
Product Description
Catalog Number:
AG00AUWC
Chemical Name:
2-Benzothiazoleacetonitrile,4-methoxy-(9CI)
CAS Number:
157764-02-8
IUPAC Name:
2-(4-methoxy-1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H8N2OS/c1-13-7-3-2-4-8-10(7)12-9(14-8)5-6-11/h2-4H,5H2,1H3
InChI Key:
GUNVDEJBCQWBOH-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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