| CAS Number | 1087659-22-0 |
| Catalog Number | AG00948B(AGN-PC-0WANXJ) |
| Chemical Name | 3-(5-Bromo-3-methoxypyridin-2-yl)prop-2-yn-1-ol |
| IUPAC Name | 3-(5-bromo-3-methoxypyridin-2-yl)prop-2-yn-1-ol |
| InChI | InChI=1S/C9H8BrNO2/c1-13-9-5-7(10)6-11-8(9)3-2-4-12/h5-6,12H,4H2,1H3 |
| InChI Key | KWDTVLGWUDQYDC-UHFFFAOYSA-N |
| MDL Number | MFCD11857630 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | OCC#Cc1ncc(cc1OC)Br |
| Synonyms | 3-(5-Bromo-3-methoxypyridin-2-yl)prop-2-yn-1-ol,
1087659-22-0,
AC1Q484X,
CTK8A1023,
DTXSID70670138,
MFCD11857630,
ZINC35270357,
AKOS015834415,
AJ-91120,
TR-057487,
A-5928,
3-(5-Bromo-3-methoxypyridin-2-yl)prop-2-yn-1-ol, AldrichCPR,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard statements
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H302
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Precautionary statements
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Certificate of Analysis
Lot Number