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15344-56-6 | 1,3-BENZOXAZOL-2-YLACETONITRILE
CAS No: 15344-56-6 Catalog No: AG00AQ2T MDL No:MFCD00160031
Product Description
Catalog Number:
AG00AQ2T
Chemical Name:
1,3-BENZOXAZOL-2-YLACETONITRILE
CAS Number:
15344-56-6
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD00160031
IUPAC Name:
2-(1,3-benzoxazol-2-yl)acetonitrile
InChI:
InChI=1S/C9H6N2O/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
InChI Key:
NGUJPJCKRWSDCS-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(o1)cccc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of meso-substituted polymethine cyanine dyes. | Bioorganic chemistry 20040801 |
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