| CAS Number | 918321-20-7 |
| Catalog Number | AG00J09J(AGN-PC-0VW8NQ) |
| Chemical Name | Methyl 5-amino-4-fluoro-1-methyl-1H-1,3-benzodiazole-6-carboxylate |
| IUPAC Name | methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C10H10FN3O2/c1-14-4-13-9-6(14)3-5(10(15)16-2)8(12)7(9)11/h3-4H,12H2,1-2H3 |
| InChI Key | LDEVURKKVDBRLD-UHFFFAOYSA-N |
| MDL Number | MFCD26127252 |
| Molecular Formula | C10H10FN3O2 |
| Molecular Weight | 223.2037 |
| SMILES | NC1=C(C2=C(N(C=N2)C)C=C1C(=O)OC)F |
| Synonyms | 918321-20-7,
Methyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate,
methyl 5-amino-4-fluoro-1-methyl-1H-1,3-benzodiazole-6-carboxylate,
6-amino-7-fluoro-3-methyl-3h-benzoimidazole-5-carboxylic acid methyl ester,
SCHEMBL2524267,
C10H10FN3O2,
KS-00000TJQ,
LDEVURKKVDBRLD-UHFFFAOYSA-N,
3190AF,
MFCD26127252,
ZINC95921733,
AKOS026675660,
SS-4695,
AC-30137,
AK270224,
PC200393,
methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate,
6-Amino-7-fluoro-3-methyl-benzimidazole-5-carboxylic acid methyl ester,
Methyl 6-amino-7-fluoro-3-methyl-3H-benzo[d]imidazole-5-carboxylate,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.207g/mol |
| Monoisotopic Mass | 223.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number