CAS 19012-01-2 | Methanone, (1-methyl-1H-indol-3-yl)phenyl- | CAS Number 19012-01-2

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19012-01-2 | Methanone, (1-methyl-1H-indol-3-yl)phenyl-

CAS No: 19012-01-2 Catalog No: AG002EC1 MDL No:

Product Description

Catalog Number:

AG002EC1

Chemical Name:

Methanone, (1-methyl-1H-indol-3-yl)phenyl-

CAS Number:

19012-01-2

Molecular Formula:

C16H13NO

Molecular Weight:

235.2805

IUPAC Name:

(1-methylindol-3-yl)-phenylmethanone

InChI:

InChI=1S/C16H13NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-11H,1H3

InChI Key:

STRIBORQTQQOGQ-UHFFFAOYSA-N

SMILES:

O=C(c1cn(c2c1cccc2)C)c1ccccc1

Properties

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.286g/mol

Monoisotopic Mass:

235.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501