Name: Name:1H-Indole-4-carboxylic acid,6-broMo-1-(1-Methylpropyl)-,Methyl ester
Brand: Angene
SKU: AG009C6L
Rating: 90 (10 reviews)

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

CAS No.:

1346576-37-1

Catalog Number:

AG009C6L

Molecular Formula:

C14H16BrNO2

Molecular Weight:

310.1863

Catalog Number:

AG009C6L

Chemical Name:

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

CAS Number:

1346576-37-1

Molecular Formula:

C14H16BrNO2

Molecular Weight:

310.1863

MDL Number:

MFCD28386916

IUPAC Name:

methyl 6-bromo-1-butan-2-ylindole-4-carboxylate

InChI:

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

InChI Key:

JRSMPKFKNDUBAK-UHFFFAOYSA-N

SMILES:

CCC(n1ccc2c1cc(Br)cc2C(=O)OC)C

Complexity:

310

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:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8