Name: Name:1H-Indole-2-carboxylic acid, 3-bromo-4,5,6,7-tetrahydro-7-oxo-, ethyl ester
Brand: Angene
SKU: AG001ZPT
Rating: 90 (10 reviews)

1H-Indole-2-carboxylic acid, 3-bromo-4,5,6,7-tetrahydro-7-oxo-, ethyl ester

CAS No.:

174504-72-4

Catalog Number:

AG001ZPT

Molecular Formula:

C11H12BrNO3

Molecular Weight:

286.1219

Catalog Number:

AG001ZPT

Chemical Name:

1H-Indole-2-carboxylic acid, 3-bromo-4,5,6,7-tetrahydro-7-oxo-, ethyl ester

CAS Number:

174504-72-4

Molecular Formula:

C11H12BrNO3

Molecular Weight:

286.1219

MDL Number:

MFCD22741908

IUPAC Name:

ethyl 3-bromo-7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate

InChI:

InChI=1S/C11H12BrNO3/c1-2-16-11(15)10-8(12)6-4-3-5-7(14)9(6)13-10/h13H,2-5H2,1H3

InChI Key:

WDVQSFIVYXRDAC-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1[nH]c2c(c1Br)CCCC2=O

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.125g/mol

Monoisotopic Mass:

285g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4