| CAS Number | 875305-85-4 |
| Catalog Number | AG00IEO0(AGN-PC-0BW1UV) |
| Chemical Name | 1H-Indazole-7-carboxylic acid, 5-chloro- |
| IUPAC Name | 5-chloro-1H-indazole-7-carboxylic acid |
| InChI | InChI=1S/C8H5ClN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | VNJXVZJEPIMSIW-UHFFFAOYSA-N |
| MDL Number | MFCD20485066 |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.5905 |
| SMILES | OC(C1=C2C(C=NN2)=CC(Cl)=C1)=O |
| Synonyms | 5-chloro-1H-indazole-7-carboxylic acid,
875305-85-4,
SCHEMBL2427163,
VNJXVZJEPIMSIW-UHFFFAOYSA-N,
MFCD20485066,
ZINC89197263,
AKOS023810082,
FCH1238039,
SB16366,
1h-indazole-7-carboxylic acid,5-chloro-,
AK171361,
AS-51483,
1H-Indazole-7-carboxylic acid, 5-chloro-,
CS-0050547,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.59g/mol |
| Monoisotopic Mass | 196.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number