| CAS Number | 31491-45-9 |
| Catalog Number | AG007J4X(AGN-PC-03S6GM) |
| Chemical Name | 3-Furancarboxylic acid, 2-chloro- |
| IUPAC Name | 2-chlorofuran-3-carboxylic acid |
| InChI | InChI=1S/C5H3ClO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8) |
| InChI Key | KDCRUDJEPBEFAY-UHFFFAOYSA-N |
| MDL Number | MFCD18393139 |
| Molecular Formula | C5H3ClO3 |
| Molecular Weight | 146.5285 |
| SMILES | OC(C1=C(Cl)OC=C1)=O |
| Synonyms | 2-chlorofuran-3-carboxylic acid,
31491-45-9,
2-chloro-3-furancarboxylic acid,
3-Furancarboxylic acid, 2-chloro-,
2-chloro-3-furoic acid,
SCHEMBL2216802,
CTK1B9729,
DTXSID50626254,
KDCRUDJEPBEFAY-UHFFFAOYSA-N,
MFCD18393139,
ZINC71774069,
AKOS006375948,
MCULE-7654199179,
NE16316,
FT-0750359,
Z1869801521,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.526g/mol |
| Monoisotopic Mass | 145.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number