Basic information
- CAS
50264-68-1- Standard SMILES
O=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12- InChIKey
DGRMEXOCSJEPGJ-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2N2O2
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.011933
Overview
1-[(3,4-dichlorophenyl)methyl]-3-indazolecarboxylic acid is a member of indazoles.
Names & identifiers
- Preferred name
- 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)-
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
- English name
- 1-(3,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid
- Molecular formula
- C15H10Cl2N2O2
- Molecular weight
- 321.16
Names & synonyms
50264-68-11H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)-1-(3,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid1-[(3,4-Dichlorophenyl)methyl]-1H-indazole-3-carboxylic acidBRN 08930501-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acidSpectrum3_001854BSPBio_00326882E87GTV6DCHEMBL3276579SCHEMBL14584216CHEBI:93699
Show more names
1H-Indazole-3-carboxylic acid, 1-[(3,4-dichlorophenyl)methyl]-
KBio3_002769DTXSID30198262AKOS012405714NCGC00095232-01NCGC00095232-02DB-147147BRD-K96670504-001-01-9Q27165396
Database identifiers
- CAS
50264-68-1- PubChem CID
- 3953
- DTXSID
DTXSID30198262- ChEMBL
CHEMBL3276579- ChEBI
CHEBI:93699
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Chemistry & industry
Suppliers1 total
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Additional notes
DefinitionChEBI: 1-[(3,4-dichlorophenyl)methyl]-3-indazolecarboxylic acid is a member of indazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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