Home Nitriles 5-Benzoxazolecarbonitrile, 2,3-dihydro-2-oxo-

5-Benzoxazolecarbonitrile, 2,3-dihydro-2-oxo-

CAS No.:
201531-21-7
Catalog Number:
AG002DHD
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
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Product Description
Catalog Number:
AG002DHD
Chemical Name:
5-Benzoxazolecarbonitrile, 2,3-dihydro-2-oxo-
CAS Number:
201531-21-7
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
MDL Number:
MFCD11845136
IUPAC Name:
2-oxo-3H-1,3-benzoxazole-5-carbonitrile
InChI:
InChI=1S/C8H4N2O2/c9-4-5-1-2-7-6(3-5)10-8(11)12-7/h1-3H,(H,10,11)
InChI Key:
HGIWVOWYATXMHJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(=O)o2
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.132g/mol
Monoisotopic Mass:
160.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties