Name: Name:1H-Indole-5-carbonitrile, 3-(4-chloro-1-oxobutyl)-
Brand: Angene
SKU: AG002UGL
Rating: 90 (10 reviews)

1H-Indole-5-carbonitrile, 3-(4-chloro-1-oxobutyl)-

CAS No.:

276863-95-7

Catalog Number:

AG002UGL

Molecular Formula:

C13H11ClN2O

Molecular Weight:

246.6922

Catalog Number:

AG002UGL

Chemical Name:

1H-Indole-5-carbonitrile, 3-(4-chloro-1-oxobutyl)-

CAS Number:

276863-95-7

Molecular Formula:

C13H11ClN2O

Molecular Weight:

246.6922

MDL Number:

MFCD09833260

IUPAC Name:

3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile

InChI:

InChI=1S/C13H11ClN2O/c14-5-1-2-13(17)11-8-16-12-4-3-9(7-15)6-10(11)12/h3-4,6,8,16H,1-2,5H2

InChI Key:

DFORIOBMTPKWPE-UHFFFAOYSA-N

SMILES:

ClCCCC(=O)c1c[nH]c2c1cc(cc2)C#N

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.694g/mol

Monoisotopic Mass:

246.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3