| CAS Number | 887350-88-1 |
| Catalog Number | AG00IFDT(AGN-PC-0WA4JS) |
| Chemical Name | 1-Cyclopropyl-1,3-benzodiazole-5-carboxylic acid |
| IUPAC Name | 1-cyclopropylbenzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2/c14-11(15)7-1-4-10-9(5-7)12-6-13(10)8-2-3-8/h1,4-6,8H,2-3H2,(H,14,15) |
| InChI Key | QXHSPEOTFUIAFD-UHFFFAOYSA-N |
| MDL Number | MFCD08448267 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | OC(C1=CC2=C(N(C3CC3)C=N2)C=C1)=O |
| Synonyms | 1-cyclopropyl-1,3-benzodiazole-5-carboxylic acid,
887350-88-1,
SCHEMBL4437592,
ZINC14001386,
AKOS000732796,
MCULE-4858578235,
V8708,
1-cyclopropyl-1H-benzimidazole-5-carboxylic acid,
F2158-0637,
C11H10N2O2,
1-cyclopropylbenzimidazole-5-carboxylic acid,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074228g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.21g/mol |
| Monoisotopic Mass | 202.074228g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number