Name: Name:1H-Indole-3-acetic acid, 5-chloro-α-oxo-, ethyl ester
Brand: Angene
SKU: AG001TTB
Rating: 90 (10 reviews)

1H-Indole-3-acetic acid, 5-chloro-α-oxo-, ethyl ester

CAS No.:

163160-58-5

Catalog Number:

AG001TTB

Molecular Formula:

C12H10ClNO3

Molecular Weight:

251.6657

Catalog Number:

AG001TTB

Chemical Name:

1H-Indole-3-acetic acid, 5-chloro-α-oxo-, ethyl ester

CAS Number:

163160-58-5

Molecular Formula:

C12H10ClNO3

Molecular Weight:

251.6657

MDL Number:

MFCD12546261

IUPAC Name:

ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate

InChI:

InChI=1S/C12H10ClNO3/c1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,14H,2H2,1H3

InChI Key:

WXWCGWHURZEBEH-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=O)c1c[nH]c2c1cc(Cl)cc2

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.666g/mol

Monoisotopic Mass:

251.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8