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117235-22-0 | 1H-Indole-3-acetic acid, 5-bromo-, methyl ester
CAS No: 117235-22-0 Catalog No: AG000DZ2 MDL No:MFCD12963546
Product Description
Catalog Number:
AG000DZ2
Chemical Name:
1H-Indole-3-acetic acid, 5-bromo-, methyl ester
CAS Number:
117235-22-0
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
MDL Number:
MFCD12963546
IUPAC Name:
methyl 2-(5-bromo-1H-indol-3-yl)acetate
InChI:
InChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3
InChI Key:
SSWHBDSYYMBTKI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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