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1159823-37-6 | 3-Chloro-4-carboxy-6-methylpyridazine dihydrochloride
CAS No: 1159823-37-6 Catalog No: AG01F85X MDL No:
Product Description
Catalog Number:
AG01F85X
Chemical Name:
3-Chloro-4-carboxy-6-methylpyridazine dihydrochloride
CAS Number:
1159823-37-6
Molecular Formula:
C6H7Cl3N2O2
Molecular Weight:
245.4910
IUPAC Name:
3-chloro-6-methylpyridazine-4-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C6H5ClN2O2.2ClH/c1-3-2-4(6(10)11)5(7)9-8-3;;/h2H,1H3,(H,10,11);2*1H
InChI Key:
IVTMGNUMRUCBID-UHFFFAOYSA-N
SMILES:
Cc1nnc(c(c1)C(=O)O)Cl.Cl.Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.957g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.484g/mol
Monoisotopic Mass:
243.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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