| CAS Number | 114855-35-5 |
| Catalog Number | AG01ABF7(AGN-PC-00O6MU) |
| Chemical Name | 1-Bromo-3-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-bromo-3-prop-2-ynoxybenzene |
| InChI | InChI=1S/C9H7BrO/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7H,6H2 |
| InChI Key | NWOMEMWJZOKRQR-UHFFFAOYSA-N |
| MDL Number | MFCD09928819 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | BrC1=CC(=CC=C1)OCC#C |
| Synonyms | 1-bromo-3-(prop-2-yn-1-yloxy)benzene,
114855-35-5,
EN300-71447,
AC1Q24LM,
SCHEMBL10574729,
NWOMEMWJZOKRQR-UHFFFAOYSA-N,
MFCD09928819,
ZINC19425482,
AKOS000167224,
BBV-061211,
FCH1435189,
MCULE-5567398973,
NE34840,
benzene, 1-bromo-3-(2-propyn-1-yloxy),
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.058g/mol |
| Monoisotopic Mass | 209.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number