| CAS Number | 123345-20-0 |
| Catalog Number | AG019V9P(AGN-PC-001V0F) |
| Chemical Name | 1-(4-Bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid |
| IUPAC Name | 1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid |
| InChI | InChI=1S/C14H13BrN2O2/c15-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(16-17)14(18)19/h5-8H,1-4H2,(H,18,19) |
| InChI Key | DVJDROZKTORELN-UHFFFAOYSA-N |
| MDL Number | MFCD09046432 |
| Molecular Formula | C14H13BrN2O2 |
| Molecular Weight | 321.1692 |
| SMILES | BrC1=CC=C(C=C1)N1N=C(C=2CCCCC12)C(=O)O |
| Synonyms | 1-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid,
123345-20-0,
AC1Q746P,
SCHEMBL10479738,
ZINC11802150,
AKOS000130407,
MCULE-5481314497,
NE21905,
EN300-44178,
AB00997147-01,
1-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, AldrichCPR,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.174g/mol |
| Monoisotopic Mass | 320.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number