Name: Name:2-chloro-1-[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]ethan-1-one
Brand: Angene
SKU: AG00ICYQ
Rating: 90 (10 reviews)

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

CAS No.:

786728-93-6

Catalog Number:

AG00ICYQ

Molecular Formula:

C11H16ClNO

Molecular Weight:

213.7038

Catalog Number:

AG00ICYQ

Chemical Name:

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

CAS Number:

786728-93-6

Molecular Formula:

C11H16ClNO

Molecular Weight:

213.7038

MDL Number:

MFCD06355959

IUPAC Name:

2-chloro-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone

InChI:

InChI=1S/C11H16ClNO/c1-7(2)13-8(3)5-10(9(13)4)11(14)6-12/h5,7H,6H2,1-4H3

InChI Key:

NAGJNVGLKPVFTG-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)C(C)C)C

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.705g/mol

Monoisotopic Mass:

213.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5