| CAS Number | 881041-26-5 |
| Catalog Number | AG00IEXU(AGN-PC-0WRA5S) |
| Chemical Name | 1-(2-CHLORO-4-NITROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE |
| IUPAC Name | 1-(2-chloro-4-nitrophenyl)pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C11H7ClN2O3/c12-10-6-8(14(16)17)3-4-11(10)13-5-1-2-9(13)7-15/h1-7H |
| InChI Key | FYRDTQNZHORAFV-UHFFFAOYSA-N |
| MDL Number | MFCD09031505 |
| Molecular Formula | C11H7ClN2O3 |
| Molecular Weight | 250.6379 |
| SMILES | [O-][N+](=O)C1=CC=C(N2C=CC=C2C=O)C(Cl)=C1 |
| Synonyms | 1-(2-chloro-4-nitrophenyl)-1H-pyrrole-2-carbaldehyde,
881041-26-5,
AC1NFWRX,
PYA-0403,
ZINC4237627,
ZX-BK001045,
BBL020869,
MFCD06653218,
STK893559,
AKOS001476448,
MCULE-8257992557,
AS-40005,
H9005,
1-(2-chloro-4-nitrophenyl)pyrrole-2-carbaldehyde,
ZINC04237627,
CID4715139,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.638g/mol |
| Monoisotopic Mass | 250.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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