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956515-08-5 | 2-(1-methyl-1H-pyrazol-4-yl)-1H-1,3-benzodiazole
CAS No: 956515-08-5 Catalog No: AG019KBO MDL No:MFCD08691282
Product Description
Catalog Number:
AG019KBO
Chemical Name:
2-(1-methyl-1H-pyrazol-4-yl)-1H-1,3-benzodiazole
CAS Number:
956515-08-5
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
MDL Number:
MFCD08691282
IUPAC Name:
2-(1-methylpyrazol-4-yl)-1H-benzimidazole
InChI:
InChI=1S/C11H10N4/c1-15-7-8(6-12-15)11-13-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,13,14)
InChI Key:
ILAJBGJRKOVOJZ-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1nc2c([nH]1)cccc2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.229g/mol
Monoisotopic Mass:
198.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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