Basic information
- CAS
50264-75-0- Standard SMILES
O=C(O)c1nn(Cc2ccc(Br)cc2Br)c2ccccc12- InChIKey
DYMCJIUYDSLBSD-UHFFFAOYSA-N- Molecular formula
- C15H10Br2N2O2
- Average molar mass
- 410.06 g/mol
- Monoisotopic mass
- 407.9109
Names & identifiers
- Preferred name
- 1-(2,4-Dibromobenzyl)-1H-indazole-3-carboxylic acid
- IUPAC
- 1-[(2,4-dibromophenyl)methyl]indazole-3-carboxylic acid
Names & synonyms
50264-75-01-(2,4-Dibromobenzyl)-1H-indazole-3-carboxylic acid1-[(2,4-dibromophenyl)methyl]indazole-3-carboxylic acid1H-Indazole-3-carboxylic acid, 1-(2,4-dibromobenzyl)-NSC283447NSC-2834471-[(2,4-Dibromophenyl)methyl]-1H-indazole-3-carboxylic acidNSC 283447BRN 0894484G4LBZ6DAX5CHEMBL3276581DTXSID90198263
Show more names
G922781H-Indazole-3-carboxylic acid, 1-[(2,4-dibromophenyl)methyl]-
Database identifiers
- CAS
50264-75-0- PubChem CID
- 73080
- DTXSID
DTXSID90198263- ChEMBL
CHEMBL3276581- UNII
- G4LBZ6DAX5
Properties
Computed structural properties
- XLogP
- 4.4
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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