Name: Name:1-[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one
Brand: Angene
SKU: AG00ICCY
Rating: 90 (10 reviews)

1-[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS No.:

731003-80-8

Catalog Number:

AG00ICCY

Molecular Formula:

C15H14ClNO3

Molecular Weight:

291.7296

Catalog Number:

AG00ICCY

Chemical Name:

1-[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS Number:

731003-80-8

Molecular Formula:

C15H14ClNO3

Molecular Weight:

291.7296

MDL Number:

MFCD04625516

IUPAC Name:

1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone

InChI:

InChI=1S/C15H14ClNO3/c1-9-5-12(13(18)7-16)10(2)17(9)11-3-4-14-15(6-11)20-8-19-14/h3-6H,7-8H2,1-2H3

InChI Key:

DFBQRLUVTMZNAA-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)c1ccc2c(c1)OCO2)C

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.731g/mol

Monoisotopic Mass:

291.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2