Name: Name:2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]acetonitrile
Brand: Angene
SKU: AG0071GP
Rating: 90 (10 reviews)

2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]acetonitrile

CAS No.:

42780-48-3

Catalog Number:

AG0071GP

Molecular Formula:

C14H13ClN2

Molecular Weight:

244.7194

Catalog Number:

AG0071GP

Chemical Name:

2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]acetonitrile

CAS Number:

42780-48-3

Molecular Formula:

C14H13ClN2

Molecular Weight:

244.7194

MDL Number:

MFCD07325336

IUPAC Name:

2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile

InChI:

InChI=1S/C14H13ClN2/c1-10-9-12(7-8-16)11(2)17(10)14-5-3-13(15)4-6-14/h3-6,9H,7H2,1-2H3

InChI Key:

OZQIRSRQPLVJIO-UHFFFAOYSA-N

SMILES:

N#CCc1cc(n(c1C)c1ccc(cc1)Cl)C

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.722g/mol

Monoisotopic Mass:

244.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4