Home Halogens 2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one

2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one

CAS No.:
900137-36-2
Catalog Number:
AG019P83
Molecular Formula:
C14H18ClNO3
Molecular Weight:
283.7506
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Product Description
Catalog Number:
AG019P83
Chemical Name:
2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one
CAS Number:
900137-36-2
Molecular Formula:
C14H18ClNO3
Molecular Weight:
283.7506
MDL Number:
MFCD08166735
IUPAC Name:
2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
InChI:
InChI=1S/C14H18ClNO3/c1-18-10-5-6-13(19-2)11(8-10)12-4-3-7-16(12)14(17)9-15/h5-6,8,12H,3-4,7,9H2,1-2H3
InChI Key:
RZXUCAQMZIQIRL-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCCC1c1cc(OC)ccc1OC
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.098g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.752g/mol
Monoisotopic Mass:
283.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties