| CAS Number | 4897-21-6 |
| Catalog Number | AG00DCPD(AGN-PC-0NJ8N8) |
| Chemical Name | 4-chloro-1-methyl-1H-imidazole |
| IUPAC Name | 4-chloro-1-methylimidazole |
| InChI | InChI=1S/C4H5ClN2/c1-7-2-4(5)6-3-7/h2-3H,1H3 |
| InChI Key | HSJTXGIHVAZHGA-UHFFFAOYSA-N |
| MDL Number | MFCD21608901 |
| Molecular Formula | C4H5ClN2 |
| Molecular Weight | 116.5489 |
| SMILES | N1=CN(C=C1Cl)C |
| Synonyms | 4-chloro-1-methyl-1H-imidazole,
4897-21-6,
1-METHYL-4-CHLOROIMIDAZOLE,
1H-Imidazole, 4-chloro-1-methyl-,
SCHEMBL9496769,
CTK1C6910,
DTXSID20500991,
ZX-CM009027,
6658AB,
FCH869328,
MFCD09743498,
ZINC39240434,
AKOS006331298,
ACM4897216,
AJ-99308,
DA-19185,
AX8257075,
FT-0740977,
Y-5445,
C4H5ClN2,
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| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.548g/mol |
| Monoisotopic Mass | 116.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number