| CAS Number | 1118787-10-2 |
| Catalog Number | AG019UNL(AGN-PC-0WO5TU) |
| Chemical Name | 4-chloro-5-nitro-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-chloro-5-nitro-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C5H3ClN2O4/c6-2-1-3(5(9)10)7-4(2)8(11)12/h1,7H,(H,9,10) |
| InChI Key | LUHFMJNZRSMDEI-UHFFFAOYSA-N |
| MDL Number | MFCD11840132 |
| Molecular Formula | C5H3ClN2O4 |
| Molecular Weight | 190.5413 |
| SMILES | OC(C1NC([N+]([O-])=O)=C(Cl)C=1)=O |
| Synonyms | 4-chloro-5-nitro-1H-pyrrole-2-carboxylic acid,
1118787-10-2,
AC1Q72ZC,
CTK5I1769,
ZINC32628294,
AKOS026727992,
MCULE-3816947130,
NE60424,
EN300-42231,
AB01002301-01,
Z426041630,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.539g/mol |
| Monoisotopic Mass | 189.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number