Name: Name:1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-chloroethan-1-one
Brand: Angene
SKU: AG019XKT
Rating: 90 (10 reviews)

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-chloroethan-1-one

CAS No.:

1211362-38-7

Catalog Number:

AG019XKT

Molecular Formula:

C11H14ClNO2

Molecular Weight:

227.6874

Catalog Number:

AG019XKT

Chemical Name:

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-chloroethan-1-one

CAS Number:

1211362-38-7

Molecular Formula:

C11H14ClNO2

Molecular Weight:

227.6874

MDL Number:

MFCD13196201

IUPAC Name:

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-chloroethanone

InChI:

InChI=1S/C11H14ClNO2/c1-4-8-10(7(3)14)6(2)13-11(8)9(15)5-12/h13H,4-5H2,1-3H3

InChI Key:

UTWJOFFJBWRUNA-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1[nH]c(c(c1CC)C(=O)C)C

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.688g/mol

Monoisotopic Mass:

227.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2