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17826-11-8

17826-11-8 | 1H-Indole-3-acetic acid, 5-bromo-α-oxo-, ethyl ester

CAS No: 17826-11-8 Catalog No: AG0025W4 MDL No:MFCD02657946

Product Description

Catalog Number:
AG0025W4
Chemical Name:
1H-Indole-3-acetic acid, 5-bromo-α-oxo-, ethyl ester
CAS Number:
17826-11-8
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
MDL Number:
MFCD02657946
IUPAC Name:
ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
InChI:
InChI=1S/C12H10BrNO3/c1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,14H,2H2,1H3
InChI Key:
BUQBKBPIDKCCOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1c[nH]c2c1cc(Br)cc2

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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