Ethanone, 2-chloro-1-[1-(2-methoxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- (9CI)


Chemical Name: Ethanone, 2-chloro-1-[1-(2-methoxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- (9CI)
CAS Number: 554405-86-6
Product Number: AG00DTB0(AGN-PC-0KXDSI)
Synonyms:
MDL No:
Molecular Formula: C12H18ClNO2
Molecular Weight: 243.7298

Identification/Properties


Computed Properties
Molecular Weight:
243.731g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
243.103g/mol
Monoisotopic Mass:
243.103g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
247
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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