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735294-23-2 | 5-CYANO-1,2-BENZISOXAZOLE
CAS No: 735294-23-2 Catalog No: AG00FBX6 MDL No:
Product Description
Catalog Number:
AG00FBX6
Chemical Name:
5-CYANO-1,2-BENZISOXAZOLE
CAS Number:
735294-23-2
IUPAC Name:
1,2-benzoxazole-5-carbonitrile
InChI:
InChI=1S/C8H4N2O/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H
InChI Key:
VRHUIZYTEZZZCU-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.133g/mol
Monoisotopic Mass:
144.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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