| CAS Number | 503828-17-9 |
| Catalog Number | AG01AR5V |
| Chemical Name | 4-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]benzoic acid |
| IUPAC Name | 4-(2H-tetrazol-5-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C9H8N4O3/c14-9(15)6-1-3-7(4-2-6)16-5-8-10-12-13-11-8/h1-4H,5H2,(H,14,15)(H,10,11,12,13) |
| InChI Key | DJUCOBREGDVEJG-UHFFFAOYSA-N |
| MDL Number | MFCD27924512 |
| Molecular Formula | C9H8N4O3 |
| Molecular Weight | 220.1848 |
| SMILES | OC(C1=CC=C(OCC2NN=NN=2)C=C1)=O |
| Synonyms | 503828-17-9,
4-(1H-tetrazol-5-ylmethoxy)benzoic acid,
4-(2H-tetrazol-5-ylmethoxy)benzoic acid,
4-(1H-1,2,3,4-tetrazol-5-ylmethoxy)benzoic acid,
Benzoic acid, 4-(2H-tetrazol-5-ylmethoxy)-,
SCHEMBL1249300,
DJUCOBREGDVEJG-UHFFFAOYSA-N,
BBL032499,
STL146791,
ZINC38478310,
AKOS005746959,
MCULE-4862057934,
4-((1H-tetrazol-5-yl)methoxy)benzoic acid,
A1-08952,
F2158-1150,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.188g/mol |
| Monoisotopic Mass | 220.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number