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175205-67-1 | 2-Thiophenecarbonitrile, 5-(3-isoxazolyl)-
CAS No: 175205-67-1 Catalog No: AG0020OP MDL No:
Product Description
Catalog Number:
AG0020OP
Chemical Name:
2-Thiophenecarbonitrile, 5-(3-isoxazolyl)-
CAS Number:
175205-67-1
Molecular Formula:
C8H4N2OS
Molecular Weight:
176.1952
IUPAC Name:
5-(1,2-oxazol-3-yl)thiophene-2-carbonitrile
InChI:
InChI=1S/C8H4N2OS/c9-5-6-1-2-8(12-6)7-3-4-11-10-7/h1-4H
InChI Key:
XMYYVSGCLWZFNA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(s1)c1nocc1
Properties
Complexity:
212
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.193g/mol
Monoisotopic Mass:
176.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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