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124459-91-2 | 1H-Indazole-3-carboxylic acid, 5,6-dichloro-
CAS No: 124459-91-2 Catalog No: AG000M14 MDL No:MFCD05663988
Product Description
Catalog Number:
AG000M14
Chemical Name:
1H-Indazole-3-carboxylic acid, 5,6-dichloro-
CAS Number:
124459-91-2
Molecular Formula:
C8H4Cl2N2O2
Molecular Weight:
231.0356
MDL Number:
MFCD05663988
IUPAC Name:
5,6-dichloro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H4Cl2N2O2/c9-4-1-3-6(2-5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
ZWNPONGTCXWARN-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1cc(Cl)c(c2)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.965g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.032g/mol
Monoisotopic Mass:
229.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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