Name: Name:Benzoic acid, 4-bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, ethyl ester
Brand: Angene
SKU: AG001TMA
Rating: 90 (10 reviews)

Benzoic acid, 4-bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, ethyl ester

CAS No.:

1630101-74-4

Catalog Number:

AG001TMA

Molecular Formula:

C16H13BrN2O3

Molecular Weight:

361.1900

Catalog Number:

AG001TMA

Chemical Name:

Benzoic acid, 4-bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, ethyl ester

CAS Number:

1630101-74-4

Molecular Formula:

C16H13BrN2O3

Molecular Weight:

361.1900

MDL Number:

MFCD30377305

IUPAC Name:

ethyl 4-bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

InChI:

InChI=1S/C16H13BrN2O3/c1-2-21-16(20)13-4-3-11(17)8-14(13)22-12-7-10-5-6-18-15(10)19-9-12/h3-9H,2H2,1H3,(H,18,19)

InChI Key:

QIMBNSRXYQXRGU-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc(cc1Oc1cnc2c(c1)cc[nH]2)Br

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.011g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.195g/mol

Monoisotopic Mass:

360.011g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8