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1005588-05-5 | 2-(1-METHYL-4-NITRO-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOLE
CAS No: 1005588-05-5 Catalog No: AG01AO05 MDL No:MFCD04132380
Product Description
Catalog Number:
AG01AO05
Chemical Name:
2-(1-METHYL-4-NITRO-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOLE
CAS Number:
1005588-05-5
Molecular Formula:
C11H9N5O2
Molecular Weight:
243.2215
MDL Number:
MFCD04132380
IUPAC Name:
2-(1-methyl-4-nitropyrazol-3-yl)-1H-benzimidazole
InChI:
InChI=1S/C11H9N5O2/c1-15-6-9(16(17)18)10(14-15)11-12-7-4-2-3-5-8(7)13-11/h2-6H,1H3,(H,12,13)
InChI Key:
DIRQEWXMQUFGGS-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)[N+](=O)[O-])c1nc2c([nH]1)cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.226g/mol
Monoisotopic Mass:
243.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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