| CAS Number | 1092306-71-2 |
| Catalog Number | AG01AFMD |
| Chemical Name | 2-chloro-6-(prop-2-yn-1-yloxy)benzaldehyde |
| IUPAC Name | 2-chloro-6-prop-2-ynoxybenzaldehyde |
| InChI | InChI=1S/C10H7ClO2/c1-2-6-13-10-5-3-4-9(11)8(10)7-12/h1,3-5,7H,6H2 |
| InChI Key | YGQVVHUQSDXSFM-UHFFFAOYSA-N |
| MDL Number | MFCD10691258 |
| Molecular Formula | C10H7ClO2 |
| Molecular Weight | 194.6144 |
| SMILES | ClC1=C(C=O)C(OCC#C)=CC=C1 |
| Synonyms | 2-chloro-6-(prop-2-yn-1-yloxy)benzaldehyde,
1092306-71-2,
FCH003075,
ZINC26516565,
AKOS009263283,
BBV-248257,
NE44316,
EN300-154608,
|
| Complexity | 218 |
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number