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17998-43-5 | 1H-Imidazo[4,5-d]pyridazine, 4,7-dichloro-
CAS No: 17998-43-5 Catalog No: AG0021JU MDL No:MFCD00723713
Product Description
Catalog Number:
AG0021JU
Chemical Name:
1H-Imidazo[4,5-d]pyridazine, 4,7-dichloro-
CAS Number:
17998-43-5
Molecular Formula:
C5H2Cl2N4
Molecular Weight:
189.0022
MDL Number:
MFCD00723713
IUPAC Name:
4,7-dichloro-1H-imidazo[4,5-d]pyridazine
InChI:
InChI=1S/C5H2Cl2N4/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H,8,9)
InChI Key:
KDFRQLMTRRFLKG-UHFFFAOYSA-N
SMILES:
Clc1nnc(c2c1[nH]cn2)Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.966g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.999g/mol
Monoisotopic Mass:
187.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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