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1-ethylbenzo[cd]indol-2-one

CAT: 1266-JH647522Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH647522Size:1 Each
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CAS Number
1830-56-4
Stability
Stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air.
Molecular Formula
C13H11NO
Molecular Weight
197.23
Product Name Synonym
N-ethylbenz[cd]indol-2 (1H) -one
Physical Properties
White crystal power with deliquescence property
Safety Statements
S26; S36/37/39; S45
Density
1.232g/cm3
Flash Point
182.5oC
Melting Point
8.5oC

Chemical Information

1-Ethylbenz[cd]indol-2(1H)-one

1-ethyl-2-benzo[cd]indolone is a member of isoindoles.

CAS Number1830-56-4
PubChem CID74592
IUPAC Name1-ethylbenzo[cd]indol-2-one
Molecular FormulaC13H11NO
Molecular Weight197.23
XLogP2.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity276
SMILES
CCN1C2=CC=CC3=C2C(=CC=C3)C1=O
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
InChIKey
BYZKRKXJSNSHEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethylbenz[cd]indol-2(1H)-one
CAS: 1830-56-4
CID: 74592
Formula: C13H11NO
MW: 197.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.23
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass197.084063974
Monoisotopic Mass197.084063974
Topological Polar Surface Area20.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR26128-011,2-Dihydrobenzo[cd]indol-2-one
OR1047440-011-Butylbenzo[cd]indol-2 (1H) -one
sc-227310Benz[cd]indol-2 (1H) -one
OR89300-015-Bromobenzo[cd]indol-2 (1H) -one
OR1027792-016-Chlorobenzo[Cd]Indol-2 (1H) -One
OR91772-016-Bromobenzo[cd]indol-2 (1H) -one
OR1068541-011-Butyl-6-chlorobenzo[cd]indol-2 (1H) -one
IEA15526-01Benz[cd]indol-2-amine
sc-2784776-Chloro-1H-benzo[cd]indol-2-one
RG-E141730-014-Bromo-1H-benzo[cd]indol-2-one

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