| CAS Number | 887351-09-9 |
| Catalog Number | AG004686(AGN-PC-0J0XO1) |
| Chemical Name | Methyl 1-cyclopropylbenzimidazole-5-carboxylate |
| IUPAC Name | methyl 1-cyclopropylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C12H12N2O2/c1-16-12(15)8-2-5-11-10(6-8)13-7-14(11)9-3-4-9/h2,5-7,9H,3-4H2,1H3 |
| InChI Key | NIEVWYBJAGQALQ-UHFFFAOYSA-N |
| MDL Number | MFCD08448288 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | COC(=O)c1ccc2c(c1)ncn2C1CC1 |
| Synonyms | Methyl 1-cyclopropylbenzimidazole-5-carboxylate,
887351-09-9,
ACMC-209qx0,
CTK8B2579,
DTXSID60743103,
ANW-39154,
KM2739,
MFCD08448288,
ZINC75935104,
AKOS023129652,
CJ-21878,
TC-127899,
V8709,
Methyl 1-cyclopropyl-1H-benzimidazole-5-carboxylate,
C12H12N2O2,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number