Name: Name:5-bromo-3-(1,3-dioxolan-2-yl)-1-(4-methylbenzenesulfonyl)-1H-indole
Brand: Angene
SKU: AG01BC3J
Rating: 90 (10 reviews)

5-bromo-3-(1,3-dioxolan-2-yl)-1-(4-methylbenzenesulfonyl)-1H-indole

CAS No.:

1803597-25-2

Catalog Number:

AG01BC3J

Molecular Formula:

C18H16BrNO4S

Molecular Weight:

422.2929

Catalog Number:

AG01BC3J

Chemical Name:

5-bromo-3-(1,3-dioxolan-2-yl)-1-(4-methylbenzenesulfonyl)-1H-indole

CAS Number:

1803597-25-2

Molecular Formula:

C18H16BrNO4S

Molecular Weight:

422.2929

MDL Number:

MFCD28954099

IUPAC Name:

5-bromo-3-(1,3-dioxolan-2-yl)-1-(4-methylphenyl)sulfonylindole

InChI:

InChI=1S/C18H16BrNO4S/c1-12-2-5-14(6-3-12)25(21,22)20-11-16(18-23-8-9-24-18)15-10-13(19)4-7-17(15)20/h2-7,10-11,18H,8-9H2,1H3

InChI Key:

CNGPLOWSOGGOHR-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ccc(c2)Br)C1OCCO1

Complexity:

566

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

420.998g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

422.293g/mol

Monoisotopic Mass:

420.998g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7