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163160-56-3 | 1H-Indole-3-acetic acid, 5-bromo-α-oxo-, methyl ester
CAS No: 163160-56-3 Catalog No: AG001TTC MDL No:MFCD08273454
Product Description
Catalog Number:
AG001TTC
Chemical Name:
1H-Indole-3-acetic acid, 5-bromo-α-oxo-, methyl ester
CAS Number:
163160-56-3
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD08273454
IUPAC Name:
methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
InChI:
InChI=1S/C11H8BrNO3/c1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9/h2-5,13H,1H3
InChI Key:
DHPHYKMALRMWJY-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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