Name: Name:1H-Indole-4-carboxylic acid, 6-broMo-3-Methyl-1-(1-Methylpropyl)-
Brand: Angene
SKU: AG009C6J
Rating: 90 (10 reviews)

1H-Indole-4-carboxylic acid, 6-broMo-3-Methyl-1-(1-Methylpropyl)-

CAS No.:

1346575-54-9

Catalog Number:

AG009C6J

Molecular Formula:

C14H16BrNO2

Molecular Weight:

310.1863

Catalog Number:

AG009C6J

Chemical Name:

1H-Indole-4-carboxylic acid, 6-broMo-3-Methyl-1-(1-Methylpropyl)-

CAS Number:

1346575-54-9

Molecular Formula:

C14H16BrNO2

Molecular Weight:

310.1863

MDL Number:

MFCD28167863

IUPAC Name:

6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid

InChI:

InChI=1S/C14H16BrNO2/c1-4-9(3)16-7-8(2)13-11(14(17)18)5-10(15)6-12(13)16/h5-7,9H,4H2,1-3H3,(H,17,18)

InChI Key:

CHASPSXISNLSOM-UHFFFAOYSA-N

SMILES:

CCC(n1cc(c2c1cc(Br)cc2C(=O)O)C)C

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.191g/mol

Monoisotopic Mass:

309.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8