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90348-25-7 | 2,1-Benzisoxazole-3-carbonitrile
CAS No: 90348-25-7 Catalog No: AG006FER MDL No:MFCD26938743
Product Description
Catalog Number:
AG006FER
Chemical Name:
2,1-Benzisoxazole-3-carbonitrile
CAS Number:
90348-25-7
Molecular Formula:
C8H4N2O
Molecular Weight:
144.1302
MDL Number:
MFCD26938743
IUPAC Name:
2,1-benzoxazole-3-carbonitrile
InChI:
InChI=1S/C8H4N2O/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H
InChI Key:
OLQYTADEJVKHTJ-UHFFFAOYSA-N
SMILES:
N#Cc1onc2c1cccc2
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:
1.8
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