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314267-83-9 | Benzonitrile, 4-(5-isoxazolyl)- (9CI)
CAS No: 314267-83-9 Catalog No: AG00CP92 MDL No:
Product Description
Catalog Number:
AG00CP92
Chemical Name:
Benzonitrile, 4-(5-isoxazolyl)- (9CI)
CAS Number:
314267-83-9
IUPAC Name:
4-(1,2-oxazol-5-yl)benzonitrile
InChI:
InChI=1S/C10H6N2O/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H
InChI Key:
SRPVCXLVJQBLLQ-UHFFFAOYSA-N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Scalable synthesis of the VEGF-R2 kinase inhibitor JNJ-17029259 using ultrasound-mediated addition of MeLi-CeCl3 to a nitrile. | The Journal of organic chemistry 20080201 |
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