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32863-32-4 | 4-Formyl-2,1,3-benzoxadiazole
CAS No: 32863-32-4 Catalog No: AG003KSI MDL No:MFCD07772900
Product Description
Catalog Number:
AG003KSI
Chemical Name:
4-Formyl-2,1,3-benzoxadiazole
CAS Number:
32863-32-4
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD07772900
IUPAC Name:
2,1,3-benzoxadiazole-4-carbaldehyde
InChI:
InChI=1S/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
InChI Key:
YBBRQAXNTWMMFZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1non2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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