Name: Name:2-chloro-1-{2,5-dimethyl-1-[2-(thiophen-2-yl)ethyl]-1H-pyrrol-3-yl}ethan-1-one
Brand: Angene
SKU: AG019O65
Rating: 90 (10 reviews)

2-chloro-1-{2,5-dimethyl-1-[2-(thiophen-2-yl)ethyl]-1H-pyrrol-3-yl}ethan-1-one

CAS No.:

852296-89-0

Catalog Number:

AG019O65

Molecular Formula:

C14H16ClNOS

Molecular Weight:

281.8009

Catalog Number:

AG019O65

Chemical Name:

2-chloro-1-{2,5-dimethyl-1-[2-(thiophen-2-yl)ethyl]-1H-pyrrol-3-yl}ethan-1-one

CAS Number:

852296-89-0

Molecular Formula:

C14H16ClNOS

Molecular Weight:

281.8009

MDL Number:

MFCD06655554

IUPAC Name:

2-chloro-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone

InChI:

InChI=1S/C14H16ClNOS/c1-10-8-13(14(17)9-15)11(2)16(10)6-5-12-4-3-7-18-12/h3-4,7-8H,5-6,9H2,1-2H3

InChI Key:

NKJXYLWJDFEUGM-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)CCc1cccs1)C

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.798g/mol

Monoisotopic Mass:

281.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4