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132227-01-1 | 5-Benzoxazolecarbonitrile
CAS No: 132227-01-1 Catalog No: AG0010F1 MDL No:MFCD16817443
Product Description
Catalog Number:
AG0010F1
Chemical Name:
5-Benzoxazolecarbonitrile
CAS Number:
132227-01-1
Molecular Formula:
C8H4N2O
Molecular Weight:
144.1302
MDL Number:
MFCD16817443
IUPAC Name:
1,3-benzoxazole-5-carbonitrile
InChI:
InChI=1S/C8H4N2O/c9-4-6-1-2-8-7(3-6)10-5-11-8/h1-3,5H
InChI Key:
XQDAKZJVIKDSCF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nco2
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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