Name: Name:1H-Indole-1-carboxylic acid, 6-(bromomethyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000XL1
Rating: 90 (10 reviews)

1H-Indole-1-carboxylic acid, 6-(bromomethyl)-, 1,1-dimethylethyl ester

CAS No.:

127956-25-6

Catalog Number:

AG000XL1

Molecular Formula:

C14H16BrNO2

Molecular Weight:

310.1863

Catalog Number:

AG000XL1

Chemical Name:

1H-Indole-1-carboxylic acid, 6-(bromomethyl)-, 1,1-dimethylethyl ester

CAS Number:

127956-25-6

Molecular Formula:

C14H16BrNO2

Molecular Weight:

310.1863

MDL Number:

MFCD01742139

IUPAC Name:

tert-butyl 6-(bromomethyl)indole-1-carboxylate

InChI:

InChI=1S/C14H16BrNO2/c1-14(2,3)18-13(17)16-7-6-11-5-4-10(9-15)8-12(11)16/h4-8H,9H2,1-3H3

InChI Key:

PFUSKZCXUUIMNV-UHFFFAOYSA-N

SMILES:

BrCc1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C

Complexity:

313

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