6-Bromo-1-methyl-1H-indazole-4-carboxylic acid
Basic information
- CAS
1245465-69-3- Standard SMILES
Cn1ncc2c(C(=O)O)cc(Br)cc21- InChIKey
NORSCRAALIELIS-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O2
- Average molar mass
- 255.07 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-1-methyl-1H-indazole-4-carboxylic acid
- IUPAC
- 6-bromo-1-methylindazole-4-carboxylic acid
- English name
- 6-bromo-1-methyl-1H-Indazole-4-carboxylic acid
- Molecular formula
- C9H7BrN2O2
- Molecular weight
- 255.07
Names & synonyms
1245465-69-36-Bromo-1-methyl-1H-indazole-4-carboxylic acid6-Bromo-1-methyl-1H-indazole-4-carboxylicacid6-bromo-1-methyl-indazole-4-carboxylic acidMFCD279933876-bromo-1-methylindazole-4-carboxylic acidSCHEMBL456673SCHEMBL29766050NORSCRAALIELIS-UHFFFAOYSA-NVZB46569AT14154DA-36524
Show more names
WS-014511H-Indazole-4-carboxylic acid, 6-bromo-1-methyl-
Database identifiers
- CAS
1245465-69-3
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 431.2 · 431.2±30.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.30(Predicted)
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Compound notes
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