| CAS Number | 929972-98-5 |
| Catalog Number | AG00IHFE |
| Chemical Name | 1-[4-(Chloromethyl)benzoyl]pyrrolidine |
| IUPAC Name | [4-(chloromethyl)phenyl]-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C12H14ClNO/c13-9-10-3-5-11(6-4-10)12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2 |
| InChI Key | YXCGADPMMJPRTQ-UHFFFAOYSA-N |
| MDL Number | MFCD08729191 |
| Molecular Formula | C12H14ClNO |
| Molecular Weight | 223.6987 |
| SMILES | ClCC1=CC=C(C(N2CCCC2)=O)C=C1 |
| Synonyms | 1-[4-(chloromethyl)benzoyl]pyrrolidine,
929972-98-5,
(4-(chloromethyl)phenyl)(pyrrolidin-1-yl)methanone,
AC1Q3U1A,
SCHEMBL3785050,
CTK6H6554,
YXCGADPMMJPRTQ-UHFFFAOYSA-N,
ALBB-032361,
ZINC8983623,
KM5536,
MFCD08729191,
AKOS009075742,
MCULE-6165261191,
UPCMLD0ENAT5764435:001,
(4-chloromethylphenyl)pyrrolidin-1-ylmethanone,
EN300-22571,
1-(Chloromethyl)-4-(pyrrolizinocarbonyl)benzene,
tert-butyl2-(4-(1H-pyrazol-1-yl)benzyl)hydrazinecarboxylate,
[4-(chloromethyl)phenyl]-pyrrolidin-1-ylmethanone,
1697305-48-8,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.7g/mol |
| Monoisotopic Mass | 223.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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