Name: Name:1H-Indole-4-carboxylic acid, 6-broMo-3-forMyl-1-(1-Methylpropyl)-, Methyl ester
Brand: Angene
SKU: AG009C6I
Rating: 90 (10 reviews)

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

CAS No.:

1346576-38-2

Catalog Number:

AG009C6I

Molecular Formula:

C15H16BrNO3

Molecular Weight:

338.1964

Catalog Number:

AG009C6I

Chemical Name:

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

CAS Number:

1346576-38-2

Molecular Formula:

C15H16BrNO3

Molecular Weight:

338.1964

MDL Number:

MFCD28347525

IUPAC Name:

methyl 6-bromo-1-butan-2-yl-3-formylindole-4-carboxylate

InChI:

InChI=1S/C15H16BrNO3/c1-4-9(2)17-7-10(8-18)14-12(15(19)20-3)5-11(16)6-13(14)17/h5-9H,4H2,1-3H3

InChI Key:

YJVAQKXGBJAIDX-UHFFFAOYSA-N

SMILES:

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

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.201g/mol

Monoisotopic Mass:

337.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2