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819059-70-6 | Spiro[2H-benzimidazole-2,3'-[3H]pyrazole](9CI)
CAS No: 819059-70-6 Catalog No: AG008LA3 MDL No:
Product Description
Catalog Number:
AG008LA3
Chemical Name:
Spiro[2H-benzimidazole-2,3'-[3H]pyrazole](9CI)
CAS Number:
819059-70-6
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
spiro[benzimidazole-2,3'-pyrazole]
InChI:
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)11-9(12-8)5-6-10-13-9/h1-6H
InChI Key:
YXGYUSFDAXJTAK-UHFFFAOYSA-N
SMILES:
c1ccc2=NC3(N=c2c1)C=CN=N3
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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