Name: Name:1H-Indole-1-carboxylic acid, 3-bromo-7-methyl-, ethyl ester
Brand: Angene
SKU: AG0013E1
Rating: 90 (10 reviews)

1H-Indole-1-carboxylic acid, 3-bromo-7-methyl-, ethyl ester

CAS No.:

1375064-43-9

Catalog Number:

AG0013E1

Molecular Formula:

C12H12BrNO2

Molecular Weight:

282.1332

Catalog Number:

AG0013E1

Chemical Name:

1H-Indole-1-carboxylic acid, 3-bromo-7-methyl-, ethyl ester

CAS Number:

1375064-43-9

Molecular Formula:

C12H12BrNO2

Molecular Weight:

282.1332

MDL Number:

MFCD22205877

IUPAC Name:

ethyl 3-bromo-7-methylindole-1-carboxylate

InChI:

InChI=1S/C12H12BrNO2/c1-3-16-12(15)14-7-10(13)9-6-4-5-8(2)11(9)14/h4-7H,3H2,1-2H3

InChI Key:

HYBXWXSTGDLURK-UHFFFAOYSA-N

SMILES:

CCOC(=O)n1cc(c2c1c(C)ccc2)Br

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.137g/mol

Monoisotopic Mass:

281.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7