| CAS Number | 1824708-16-8 |
| Catalog Number | AG0023WR(AGN-PC-0WQY91) |
| Chemical Name | 1-(2-Chloro-4-cyclopropylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(2-chloro-4-cyclopropylphenyl)-5-methyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C13H12ClN3O2/c1-7-12(13(18)19)15-16-17(7)11-5-4-9(6-10(11)14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,18,19) |
| InChI Key | MPPXFIMRSPKELK-UHFFFAOYSA-N |
| MDL Number | MFCD30478445 |
| Molecular Formula | C13H12ClN3O2 |
| Molecular Weight | 277.7063 |
| SMILES | CC1=C(N=NN1C1=CC=C(C=C1Cl)C1CC1)C(O)=O |
| Synonyms | 1824708-16-8,
1-(2-chloro-4-cyclopropylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid,
SCHEMBL17260097,
MPPXFIMRSPKELK-UHFFFAOYSA-N,
KS-00000TO4,
MFCD30478445,
ZINC514287098,
CS-W020156,
AK543428,
DS-19248,
1-(2-chloro-4-cyclopropylphenyl)-5-methyltriazole-4-carboxylic acid,
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-chloro-4-cyclopropylphenyl)-5-methyl-,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.708g/mol |
| Monoisotopic Mass | 277.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number