| CAS Number | 693806-45-0 |
| Catalog Number | AG00FBT2(AGN-PC-0WB4UO) |
| Chemical Name | [5-Bromo-2-(2-propyn-1-yloxy)phenyl]methanol |
| IUPAC Name | (5-bromo-2-prop-2-ynoxyphenyl)methanol |
| InChI | InChI=1S/C10H9BrO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h1,3-4,6,12H,5,7H2 |
| InChI Key | KTEZMPUCEZUBDN-UHFFFAOYSA-N |
| MDL Number | MFCD04210329 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | C1(CO)=CC(Br)=CC=C1OCC#C |
| Synonyms | 693806-45-0,
[5-bromo-2-(2-propyn-1-yloxy)phenyl]methanol,
(5-Bromo-2-(prop-2-yn-1-yloxy)phenyl)methanol,
AC1M3P51,
SCHEMBL16774520,
CHEMBRDG-BB 7598650,
ZINC2838147,
ZX-CM017419,
AKOS009253806,
BBV-240982,
FCH4640627,
(5-bromo-2-prop-2-ynoxyphenyl)methanol,
AJ-44261,
Y-1265,
SR-01000266136,
SR-01000266136-1,
[5-bromo-2-(2-propyn-1-yloxy)phenyl]methanol, AldrichCPR,
CHEMBRDG-BB7598650,
ZINC02838147,
CID2194206,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.084g/mol |
| Monoisotopic Mass | 239.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number