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117637-79-3 | 1H-Indole-2-carboxylic acid, 3-iodo-, ethyl ester
CAS No: 117637-79-3 Catalog No: AG000HKN MDL No:MFCD18157645
Product Description
Catalog Number:
AG000HKN
Chemical Name:
1H-Indole-2-carboxylic acid, 3-iodo-, ethyl ester
CAS Number:
117637-79-3
Molecular Formula:
C11H10INO2
Molecular Weight:
315.1071
MDL Number:
MFCD18157645
IUPAC Name:
ethyl 3-iodo-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3
InChI Key:
BZVJUWYDEMOJMH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1I)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.11g/mol
Monoisotopic Mass:
314.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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