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740840-15-7 | 1H-Pyrazolo[4,3-g]-2,1-benzisoxazole(9CI)
CAS No: 740840-15-7 Catalog No: AG005TTX MDL No:
Product Description
Catalog Number:
AG005TTX
Chemical Name:
1H-Pyrazolo[4,3-g]-2,1-benzisoxazole(9CI)
CAS Number:
740840-15-7
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
8H-pyrazolo[4,3-g][2,1]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-6-4-12-11-8(6)7-5(1)3-9-10-7/h1-4H,(H,9,10)
InChI Key:
RRVIYQDQJZYFJO-UHFFFAOYSA-N
SMILES:
o1cc2c([nH]1)c1nncc1cc2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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