| CAS Number | 33133-45-8 |
| Catalog Number | AG01A2PQ(AGN-PC-0N3FDR) |
| Chemical Name | 1-Bromo-4-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-bromo-4-prop-2-ynoxybenzene |
| InChI | InChI=1S/C9H7BrO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7H2 |
| InChI Key | CNMUGKCHFFQLEP-UHFFFAOYSA-N |
| MDL Number | MFCD09946935 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | C#CCOC1=CC=C(Br)C=C1 |
| Synonyms | 1-bromo-4-(prop-2-yn-1-yloxy)benzene,
33133-45-8,
4-Bromo-phenyl propargyl ether,
(4-Bromophenyl)propargyl ether,
SCHEMBL3805100,
CTK1B8714,
1-bromo-4-prop-2-ynyloxybenzene,
DTXSID90438914,
ZINC19510323,
AKOS000194748,
BBV-084235,
FCH5083082,
NE51794,
Benzene, 1-bromo-4-(2-propynyloxy)-,
EN300-118451,
Z54475590,
1-bromo-4-prop-2-ynoxy-benzene,
CID10375849,
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| Complexity | 150 |
| 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
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Certificate of Analysis
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