Home Halogens Ethanone, 2-chloro-1-(7-ethyl-1H-indol-3-yl)- (9CI)

Ethanone, 2-chloro-1-(7-ethyl-1H-indol-3-yl)- (9CI)

CAS No.:
571153-20-3
Catalog Number:
AG00ET90
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ET90
Chemical Name:
Ethanone, 2-chloro-1-(7-ethyl-1H-indol-3-yl)- (9CI)
CAS Number:
571153-20-3
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
MDL Number:
MFCD03984487
IUPAC Name:
2-chloro-1-(7-ethyl-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C12H12ClNO/c1-2-8-4-3-5-9-10(11(15)6-13)7-14-12(8)9/h3-5,7,14H,2,6H2,1H3
InChI Key:
NZRAUEOTKUVXJS-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1c[nH]c2c1cccc2CC
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
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
Properties