Home Halogens 1-benzoyl-3-(chloromethyl)pyrrolidine

1-benzoyl-3-(chloromethyl)pyrrolidine

CAS No.:
1339906-62-5
Catalog Number:
AG01B97O
Molecular Formula:
C12H14ClNO
Molecular Weight:
223.6987
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Product Description
Catalog Number:
AG01B97O
Chemical Name:
1-benzoyl-3-(chloromethyl)pyrrolidine
CAS Number:
1339906-62-5
Molecular Formula:
C12H14ClNO
Molecular Weight:
223.6987
MDL Number:
MFCD18350844
IUPAC Name:
[3-(chloromethyl)pyrrolidin-1-yl]-phenylmethanone
InChI:
InChI=1S/C12H14ClNO/c13-8-10-6-7-14(9-10)12(15)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChI Key:
KLDUWLRSVLERAY-UHFFFAOYSA-N
SMILES:
ClCC1CCN(C1)C(=O)c1ccccc1
Properties
Complexity:
226  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties