Name: Name:1-[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one
Brand: Angene
SKU: AG019V4Q
Rating: 90 (10 reviews)

1-[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS No.:

923854-43-7

Catalog Number:

AG019V4Q

Molecular Formula:

C18H22ClNO

Molecular Weight:

303.8264

Catalog Number:

AG019V4Q

Chemical Name:

1-[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS Number:

923854-43-7

Molecular Formula:

C18H22ClNO

Molecular Weight:

303.8264

MDL Number:

MFCD08445008

IUPAC Name:

1-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone

InChI:

InChI=1S/C18H22ClNO/c1-12-10-16(17(21)11-19)13(2)20(12)15-8-6-14(7-9-15)18(3,4)5/h6-10H,11H2,1-5H3

InChI Key:

XSGDOSFCPYQYHU-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.139g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.83g/mol

Monoisotopic Mass:

303.139g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1