| CAS Number | 209959-69-3 |
| Catalog Number | AG00I40K(AGN-PC-0QWZC2) |
| Chemical Name | Methanone, (4-amino-2-chlorophenyl)-1-pyrrolidinyl-OTHER CA INDEX NAMES:Pyrrolidine, 1-(4-amino-2-chlorobenzoyl)- |
| IUPAC Name | (4-amino-2-chlorophenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H13ClN2O/c12-10-7-8(13)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2 |
| InChI Key | GFUOTURTLDWQEO-UHFFFAOYSA-N |
| MDL Number | MFCD09050319 |
| Molecular Formula | C11H13ClN2O |
| Molecular Weight | 224.6867 |
| SMILES | Nc1ccc(c(c1)Cl)C(=O)N1CCCC1 |
| Synonyms | 3-Chloro-4-[(pyrrolidin-1-yl)carbonyl]aniline,
209959-69-3,
3-CHLORO-4-(PYRROLIDIN-1-YLCARBONYL)ANILINE,
SCHEMBL3426843,
CTK7D6408,
GFUOTURTLDWQEO-UHFFFAOYSA-N,
ZINC8732473,
AKOS000103570,
3-chloro-4-(pyrrolidin-1-yl-carbonyl)-aniline,
A1-09492,
(4-Amino-2-chloro-phenyl)-pyrrolidin-1-yl-methanone,
Methanone, (4-amino-2-chlorophenyl)-1-pyrrolidinyl-,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.688g/mol |
| Monoisotopic Mass | 224.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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