| CAS Number | 1224640-19-0 |
| Catalog Number | AG00HGQF(AGN-PC-0WG3ZF) |
| Chemical Name | methyl 2-chloro-4-ethynylbenzoate |
| IUPAC Name | methyl 2-chloro-4-ethynylbenzoate |
| InChI | InChI=1S/C10H7ClO2/c1-3-7-4-5-8(9(11)6-7)10(12)13-2/h1,4-6H,2H3 |
| InChI Key | GFTHRHCWMLNTGN-UHFFFAOYSA-N |
| MDL Number | MFCD23378507 |
| Molecular Formula | C10H7ClO2 |
| Molecular Weight | 194.6144 |
| SMILES | ClC1=C(C(=O)OC)C=CC(=C1)C#C |
| Synonyms | 2-Chloro-4-ethynyl-benzoic acid methyl ester,
1224640-19-0,
Methyl 2-chloro-4-ethynylbenzoate,
A1-01017,
SCHEMBL2333339,
GFTHRHCWMLNTGN-UHFFFAOYSA-N,
MFCD23378507,
ZINC91305373,
FCH2318152,
AM806062,
CS-0036798,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.614g/mol |
| Monoisotopic Mass | 194.013g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number