| CAS Number | 79600-77-4 |
| Catalog Number | AG00ID25(AGN-PC-0WQVM2) |
| Chemical Name | 5-Chloro-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 5-chloro-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C5H4ClNO2/c6-4-1-3(2-7-4)5(8)9/h1-2,7H,(H,8,9) |
| InChI Key | FAFCJBVGFLUQSB-UHFFFAOYSA-N |
| MDL Number | MFCD19216506 |
| Molecular Formula | C5H4ClNO2 |
| Molecular Weight | 145.5438 |
| SMILES | O=C(C1=CNC(Cl)=C1)O |
| Synonyms | 5-CHLORO-1H-PYRROLE-3-CARBOXYLIC ACID,
79600-77-4,
1H-Pyrrole-3-carboxylic acid, 5-chloro-,
SCHEMBL10939080,
FAFCJBVGFLUQSB-UHFFFAOYSA-N,
5-Chloropyrrole-3-carboxylic Acid,
MFCD19216506,
ZINC39333508,
AKOS006351651,
AM806417,
AS-39746,
CS-0035544,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.542g/mol |
| Monoisotopic Mass | 144.993g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number