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173540-04-0 | 2-Benzothiazoleacetonitrile,-(hydroxyimino)-,(E)-(9CI)
CAS No: 173540-04-0 Catalog No: AG00AV14 MDL No:MFCD01558243
Product Description
Catalog Number:
AG00AV14
Chemical Name:
2-Benzothiazoleacetonitrile,-(hydroxyimino)-,(E)-(9CI)
CAS Number:
173540-04-0
Molecular Formula:
C9H5N3OS
Molecular Weight:
203.2205
MDL Number:
MFCD01558243
IUPAC Name:
(2E)-2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile
InChI:
InChI=1S/C9H5N3OS/c10-5-7(12-13)9-11-6-3-1-2-4-8(6)14-9/h1-4,13H/b12-7+
InChI Key:
USOUGMJKPPEOEY-KPKJPENVSA-N
SMILES:
ON=C(c1nc2c(s1)cccc2)C#N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
203.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.219g/mol
Monoisotopic Mass:
203.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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