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88002-38-4 | 1H-Benzimidazol-2-amine, N-(6-chloro-3-pyridazinyl)-
CAS No: 88002-38-4 Catalog No: AG004NXY MDL No:
Product Description
Catalog Number:
AG004NXY
Chemical Name:
1H-Benzimidazol-2-amine, N-(6-chloro-3-pyridazinyl)-
CAS Number:
88002-38-4
Molecular Formula:
C11H8ClN5
Molecular Weight:
245.6677
IUPAC Name:
N-(6-chloropyridazin-3-yl)-1H-benzimidazol-2-amine
InChI:
InChI=1S/C11H8ClN5/c12-9-5-6-10(17-16-9)15-11-13-7-3-1-2-4-8(7)14-11/h1-6H,(H2,13,14,15,17)
InChI Key:
PYUXBVXUYJSFLT-UHFFFAOYSA-N
SMILES:
Clc1ccc(nn1)Nc1nc2c([nH]1)cccc2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.67g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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