Home Halogens 1-Acetyl-5-bromo-4-chloro-1h-indol-3-yl acetate

1-Acetyl-5-bromo-4-chloro-1h-indol-3-yl acetate

CAS No.:
3030-06-6
Catalog Number:
AG002ZKC
Molecular Formula:
C12H9BrClNO3
Molecular Weight:
330.5618
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Product Description
Catalog Number:
AG002ZKC
Chemical Name:
1-Acetyl-5-bromo-4-chloro-1h-indol-3-yl acetate
CAS Number:
3030-06-6
Molecular Formula:
C12H9BrClNO3
Molecular Weight:
330.5618
MDL Number:
MFCD00040632
IUPAC Name:
(1-acetyl-5-bromo-4-chloroindol-3-yl) acetate
InChI:
InChI=1S/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H3
InChI Key:
DSHQTSIXXYZXGR-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cn(c2c1c(Cl)c(Br)cc2)C(=O)C
EC Number:
221-200-6
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.945g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.562g/mol
Monoisotopic Mass:
328.945g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties