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93794-41-3 | 5-Benzoxazolecarbonitrile, 2,3-dihydro-2-thioxo-
CAS No: 93794-41-3 Catalog No: AG00IHUV MDL No:
Product Description
Catalog Number:
AG00IHUV
Chemical Name:
5-Benzoxazolecarbonitrile, 2,3-dihydro-2-thioxo-
CAS Number:
93794-41-3
IUPAC Name:
2-sulfanylidene-3H-1,3-benzoxazole-5-carbonitrile
InChI:
InChI=1S/C8H4N2OS/c9-4-5-1-2-7-6(3-5)10-8(12)11-7/h1-3H,(H,10,12)
InChI Key:
WFWNMCPXXCRAMH-UHFFFAOYSA-N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.193g/mol
Monoisotopic Mass:
176.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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