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Home Halogens 2-chloro-1-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one

2-chloro-1-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one

CAS No.:
610274-25-4
Catalog Number:
AG00IASO
Molecular Formula:
C15H16ClNO2
Molecular Weight:
277.7460
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Product Description
Catalog Number:
AG00IASO
Chemical Name:
2-chloro-1-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
CAS Number:
610274-25-4
Molecular Formula:
C15H16ClNO2
Molecular Weight:
277.7460
MDL Number:
MFCD03961627
IUPAC Name:
2-chloro-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
InChI:
InChI=1S/C15H16ClNO2/c1-10-8-14(15(18)9-16)11(2)17(10)12-4-6-13(19-3)7-5-12/h4-8H,9H2,1-3H3
InChI Key:
TTZHJRQFLDAYDP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(C)cc(c1C)C(=O)CCl
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.087g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.748g/mol
Monoisotopic Mass:
277.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties