| CAS Number | 952182-93-3 |
| Catalog Number | AG00IIUJ(AGN-PC-0WAXSQ) |
| Chemical Name | Methyl 2-chloro-4-(imidazol-1-yl)benzoate |
| IUPAC Name | methyl 2-chloro-4-imidazol-1-ylbenzoate |
| InChI | InChI=1S/C11H9ClN2O2/c1-16-11(15)9-3-2-8(6-10(9)12)14-5-4-13-7-14/h2-7H,1H3 |
| InChI Key | VFHCVVCHWCLHAO-UHFFFAOYSA-N |
| MDL Number | MFCD09152705 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | ClC1(=C(C(=O)OC)C=CC(=C1)N2(C=NC=C2)) |
| Synonyms | 952182-93-3,
methyl 2-chloro-4-(1H-imidazol-1-yl)benzenecarboxylate,
Methyl 2-chloro-4-(1H-imidazol-1-yl)-benzenecarboxylate,
Methyl 2-chloro-4-(1H-imidazol-1-yl)benzoate,
methyl 2-chloro-4-(imidazol-1-yl)benzoate,
CTK6J0165,
methyl 2-chloro-4-imidazolylbenzoate,
MFCD09152705,
SBB098668,
ZINC12336418,
AKOS005071516,
methylchloroimidazolylbenzenecarboxylate,
AB-0710,
MCULE-5934441545,
RP13596,
KS-000021X6,
AJ-60862,
TR-064140,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.655g/mol |
| Monoisotopic Mass | 236.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number