CAS 1830-56-4 | Benz[cd]indol-2(1H)-one, 1-ethyl- | CAS Number 1830-56-4

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1830-56-4 | Benz[cd]indol-2(1H)-one, 1-ethyl-

CAS No: 1830-56-4 Catalog No: AG0024C7 MDL No:MFCD00226418

Product Description

Catalog Number:

AG0024C7

Chemical Name:

Benz[cd]indol-2(1H)-one, 1-ethyl-

CAS Number:

1830-56-4

Molecular Formula:

C13H11NO

Molecular Weight:

197.2325

MDL Number:

MFCD00226418

IUPAC Name:

1-ethylbenzo[cd]indol-2-one

InChI:

InChI=1S/C13H11NO/c1-2-14-11-8-4-6-9-5-3-7-10(12(9)11)13(14)15/h3-8H,2H2,1H3

InChI Key:

BYZKRKXJSNSHEE-UHFFFAOYSA-N

SMILES:

CCn1c(=O)c2c3c1cccc3ccc2

EC Number:

217-386-3

Properties

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.237g/mol

Monoisotopic Mass:

197.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

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