| CAS Number | 17061-92-6 |
| Catalog Number | AG01ABFZ(AGN-PC-0JS8TT) |
| Chemical Name | 1-Chloro-2-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-chloro-2-prop-2-ynoxybenzene |
| InChI | InChI=1S/C9H7ClO/c1-2-7-11-9-6-4-3-5-8(9)10/h1,3-6H,7H2 |
| InChI Key | CPJYMVHZHGCWOU-UHFFFAOYSA-N |
| MDL Number | MFCD13192002 |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.6043 |
| SMILES | ClC1=C(OCC#C)C=CC=C1 |
| Synonyms | 1-chloro-2-(prop-2-yn-1-yloxy)benzene,
17061-92-6,
ZINC32150264,
2-chlorophenyl prop-2-yn-1-yl ether,
AKOS008018897,
MCULE-4063399557,
NE40670,
Benzene, 1-chloro-2-(2-propynyloxy)-,
EN300-71505,
A1-05191,
Z54471915,
CID519359,
1-chloro-2-prop-2-ynoxybenzene,
o-Chlorophenyl propargyl ether,
AC1LAS6W,
AC1Q3HTX,
SCHEMBL5981851,
(2-Chlorophenyl)propargyl ether,
CTK0E4838,
DTXSID80333984,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.604g/mol |
| Monoisotopic Mass | 166.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number