2-chloro-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one


Chemical Name: 2-chloro-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
CAS Number: 379244-16-3
Product Number: AG019HW9(AG019HW9)
Synonyms:
MDL No:
Molecular Formula: C13H14ClNO2
Molecular Weight: 251.7088

Identification/Properties


Computed Properties
Molecular Weight:
251.71g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
251.071g/mol
Monoisotopic Mass:
251.071g/mol
Topological Polar Surface Area:
35.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
285
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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