| CAS Number | 38770-76-2 |
| Catalog Number | AG00784C(AGN-PC-0NDZV3) |
| Chemical Name | 1-Bromo-2-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-bromo-2-prop-2-ynoxybenzene |
| InChI | InChI=1S/C9H7BrO/c1-2-7-11-9-6-4-3-5-8(9)10/h1,3-6H,7H2 |
| InChI Key | ZCILWDWEHZCFHH-UHFFFAOYSA-N |
| MDL Number | MFCD09934815 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | C#CCOC1=CC=CC=C1Br |
| Synonyms | 38770-76-2,
1-Bromo-2-(prop-2-yn-1-yloxy)benzene,
2-bromophenyl propargyl ether,
Benzene, 1-bromo-2-(2-propynyloxy)-,
O-propargyl-2-bromophenol,
(2-Bromophenyl)propargyl ether,
SCHEMBL1800668,
CTK1A8753,
DTXSID40450904,
ZCILWDWEHZCFHH-UHFFFAOYSA-N,
AKOS000179028,
1-bromo-2-prop-2-ynoxybenzene,
1-bromo-2-prop-2-ynoxy-benzene,
CID10987551,
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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 | 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 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number