| CAS Number | 636574-35-1 |
| Catalog Number | AG00EBOC(AGN-PC-09PZHT) |
| Chemical Name | Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate |
| IUPAC Name | methyl 2-(chloromethyl)-1H-benzimidazole-4-carboxylate |
| InChI | InChI=1S/C10H9ClN2O2/c1-15-10(14)6-3-2-4-7-9(6)13-8(5-11)12-7/h2-4H,5H2,1H3,(H,12,13) |
| InChI Key | FFXBOPGNCMMISO-UHFFFAOYSA-N |
| MDL Number | MFCD17214274 |
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.6437 |
| SMILES | C(=O)(OC)c1c2c(nc([nH]2)CCl)ccc1 |
| Synonyms | Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate,
636574-35-1,
ACMC-209nh5,
SCHEMBL6841804,
Methyl 2-(chloromethyl)-1H-benzimidazole-4-carboxylate,
CTK5B9629,
DTXSID90682157,
ANW-34695,
MFCD17214274,
ZINC71791040,
AKOS015850530,
CJ-21554,
TR-037364,
V7041,
A-4004,
I01-11550,
copy name Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate,
C10H9ClN2O2,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.644g/mol |
| Monoisotopic Mass | 224.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number