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88002-37-3 | 1H-Benzimidazol-2-amine, N-3-pyridazinyl-
CAS No: 88002-37-3 Catalog No: AG004KHW MDL No:
Product Description
Catalog Number:
AG004KHW
Chemical Name:
1H-Benzimidazol-2-amine, N-3-pyridazinyl-
CAS Number:
88002-37-3
Molecular Formula:
C11H9N5
Molecular Weight:
211.2227
IUPAC Name:
N-pyridazin-3-yl-1H-benzimidazol-2-amine
InChI:
InChI=1S/C11H9N5/c1-2-5-9-8(4-1)13-11(14-9)15-10-6-3-7-12-16-10/h1-7H,(H2,13,14,15,16)
InChI Key:
LJULDFZUUYVXHV-UHFFFAOYSA-N
SMILES:
c1ccc(nn1)Nc1nc2c([nH]1)cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.228g/mol
Monoisotopic Mass:
211.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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