| CAS Number | 111252-41-6 |
| Catalog Number | AG00HC4O(AGN-PC-0NXM5B) |
| Chemical Name | (E)-3-(5-Methyl-2-furanyl)-2-propenoyl chloride |
| IUPAC Name | (E)-3-(5-methylfuran-2-yl)prop-2-enoyl chloride |
| InChI | InChI=1S/C8H7ClO2/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3/b5-4+ |
| InChI Key | WNVMEYJIQAAXGD-SNAWJCMRSA-N |
| MDL Number | MFCD12198075 |
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.5930 |
| SMILES | Cc1ccc(o1)/C=C/C(=O)Cl |
| Synonyms | (2E)-3-(5-METHYL-2-FURYL)ACRYLOYL CHLORIDE,
111252-41-6,
(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl chloride,
3-(5-methyl-furan-2-yl)-acryloyl chloride,
SCHEMBL7891168,
SCHEMBL7891174,
ALBB-011753,
ZX-AN010570,
BBL037200,
FCH923538,
MFCD12198075,
STL508883,
ZINC39395183,
AKOS005173521,
FCH3733980,
T3066,
2-propenoyl chloride, 3-(5-methyl-2-furanyl)-, (2E)-,
84050-23-7,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 170.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.592g/mol |
| Monoisotopic Mass | 170.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number