| CAS Number | 1019361-97-7 |
| Catalog Number | AG01A2N6(AGN-PC-0WOVGS) |
| Chemical Name | 2-Chloro-4-(pyrrolidine-1-carbonyl)phenol |
| IUPAC Name | (3-chloro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H12ClNO2/c12-9-7-8(3-4-10(9)14)11(15)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6H2 |
| InChI Key | MTQTVKWQIWHNQE-UHFFFAOYSA-N |
| MDL Number | MFCD06987688 |
| Molecular Formula | C11H12ClNO2 |
| Molecular Weight | 225.6715 |
| SMILES | OC1=C(Cl)C=C(C(N2CCCC2)=O)C=C1 |
| Synonyms | 2-chloro-4-(pyrrolidine-1-carbonyl)phenol,
1019361-97-7,
(3-chloro-4-hydroxyphenyl)(pyrrolidin-1-yl)methanone,
ZINC19836903,
AKOS000207371,
MCULE-4020641943,
NE53203,
DA-16294,
FT-0733683,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.672g/mol |
| Monoisotopic Mass | 225.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number