Name: Name:1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-chloropropan-1-one
Brand: Angene
SKU: AG019OVD
Rating: 90 (10 reviews)

1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-chloropropan-1-one

CAS No.:

191789-89-6

Catalog Number:

AG019OVD

Molecular Formula:

C13H14ClNO2

Molecular Weight:

251.7088

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Product Description

Catalog Number:

AG019OVD

Chemical Name:

1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-chloropropan-1-one

CAS Number:

191789-89-6

Molecular Formula:

C13H14ClNO2

Molecular Weight:

251.7088

MDL Number:

MFCD07690525

IUPAC Name:

1-(1-acetyl-2,3-dihydroindol-5-yl)-2-chloropropan-1-one

InChI:

InChI=1S/C13H14ClNO2/c1-8(14)13(17)11-3-4-12-10(7-11)5-6-15(12)9(2)16/h3-4,7-8H,5-6H2,1-2H3

InChI Key:

JSMBGMRSUWECSH-UHFFFAOYSA-N

SMILES:

O=C(c1ccc2c(c1)CCN2C(=O)C)C(Cl)C

Properties

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.71g/mol

Monoisotopic Mass:

251.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
(RS)-1-(1-Acetyl-indolin-5-yl)-2-chloro-propan-1-one.	Acta crystallographica. Section E, Structure reports online 20100701