Name: Name:1-(1-Benzyl-2,5-diMethyl-1h-pyrrol-3-yl)-2-chloroethan-1-one
Brand: Angene
SKU: AG00EKQU
Rating: 90 (10 reviews)

1-(1-Benzyl-2,5-diMethyl-1h-pyrrol-3-yl)-2-chloroethan-1-one

CAS No.:

610274-26-5

Catalog Number:

AG00EKQU

Molecular Formula:

C15H16ClNO

Molecular Weight:

261.7466

Catalog Number:

AG00EKQU

Chemical Name:

1-(1-Benzyl-2,5-diMethyl-1h-pyrrol-3-yl)-2-chloroethan-1-one

CAS Number:

610274-26-5

Molecular Formula:

C15H16ClNO

Molecular Weight:

261.7466

MDL Number:

MFCD04629634

IUPAC Name:

1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-chloroethanone

InChI:

InChI=1S/C15H16ClNO/c1-11-8-14(15(18)9-16)12(2)17(11)10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3

InChI Key:

OXABFSIGNVGMCD-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)Cc1ccccc1)C

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.749g/mol

Monoisotopic Mass:

261.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4