| CAS Number | 33302-52-2 |
| Catalog Number | AG01ABE3(AGN-PC-000RF0) |
| Chemical Name | 1-Chloro-3-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-chloro-3-prop-2-ynoxybenzene |
| InChI | InChI=1S/C9H7ClO/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7H,6H2 |
| InChI Key | MWRDOGDGBQFLTG-UHFFFAOYSA-N |
| MDL Number | MFCD14631205 |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.6043 |
| SMILES | c1(cccc(c1)OCC#C)Cl |
| Synonyms | 1-chloro-3-(prop-2-yn-1-yloxy)benzene,
33302-52-2,
1-chloro-3-(prop-2-ynyloxy)benzene,
AC1Q3IGW,
SCHEMBL5757417,
3-(m-chlorophenoxy)-1-propyne,
CTK1B1829,
DTXSID90557634,
1-Chloro-3-(propargyloxy)benzene,
MWRDOGDGBQFLTG-UHFFFAOYSA-N,
MFCD14631205,
ZINC34252954,
AKOS008950667,
MCULE-5288186372,
NE39703,
Benzene, 1-chloro-3-(2-propynyloxy)-,
1-Chloro-3-[(prop-2-yn-1-yl)oxy]benzene,
EN300-71353,
Z54474446,
1-chloro-3-prop-2-ynoxybenzene,
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| 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 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number