1-[4-(Chloromethyl)benzoyl]pyrrolidine - CAS 929972-98-5
Catalog: |
BB069638 |
Product Name: |
1-[4-(Chloromethyl)benzoyl]pyrrolidine |
CAS: |
929972-98-5 |
Synonyms: |
1-[4-(chloromethyl)benzoyl]pyrrolidine; (4-(chloromethyl)phenyl)(pyrrolidin-1-yl)methanone; [4-(chloromethyl)phenyl]-pyrrolidin-1-ylmethanone |
IUPAC Name: | [4-(chloromethyl)phenyl]-pyrrolidin-1-ylmethanone |
Description: | 1-[4-(Chloromethyl)benzoyl]pyrrolidine |
Molecular Weight: | 223.7 |
Molecular Formula: | C12H14ClNO |
Canonical SMILES: | C1CCN(C1)C(=O)C2=CC=C(C=C2)CCl |
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 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0763918 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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