| CAS Number | 36951-51-6 |
| Catalog Number | AG019MJD(AGN-PC-0NL0NT) |
| Chemical Name | 5-chloro-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-chloro-1-(4-methylphenyl)tetrazole |
| InChI | InChI=1S/C8H7ClN4/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h2-5H,1H3 |
| InChI Key | AVFIIPCVWYXPEO-UHFFFAOYSA-N |
| MDL Number | MFCD11099412 |
| Molecular Formula | C8H7ClN4 |
| Molecular Weight | 194.6210 |
| SMILES | CC1=CC=C(N2C(Cl)=NN=N2)C=C1 |
| Synonyms | 5-chloro-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole,
5-chloro-1-(4-methylphenyl)-1H-tetrazole,
36951-51-6,
AC1Q2LD1,
SCHEMBL10373263,
CTK6B8639,
ZINC32627038,
AKOS026730071,
MCULE-9259835820,
NE29830,
EN300-36378,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.622g/mol |
| Monoisotopic Mass | 194.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number