Name: Name:Methyl 2-Bromo-3-cyclohexyl-6-indolecarboxylate
Brand: Angene
SKU: AG00D9WA
Rating: 90 (10 reviews)

Methyl 2-Bromo-3-cyclohexyl-6-indolecarboxylate

CAS No.:

494799-19-8

Catalog Number:

AG00D9WA

Molecular Formula:

C16H18BrNO2

Molecular Weight:

336.2236

Catalog Number:

AG00D9WA

Chemical Name:

Methyl 2-Bromo-3-cyclohexyl-6-indolecarboxylate

CAS Number:

494799-19-8

Molecular Formula:

C16H18BrNO2

Molecular Weight:

336.2236

MDL Number:

MFCD09833288

IUPAC Name:

methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

InChI:

InChI=1S/C16H18BrNO2/c1-20-16(19)11-7-8-12-13(9-11)18-15(17)14(12)10-5-3-2-4-6-10/h7-10,18H,2-6H2,1H3

InChI Key:

QOQJFUQDXVNLMK-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)[nH]c(c2C1CCCCC1)Br

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.229g/mol

Monoisotopic Mass:

335.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5