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1174038-59-5 | 1H-Pyrrolo[2,3-c]pyridine-1-carboxylic acid, 3-iodo-, 1,1-dimethylethyl ester
CAS No: 1174038-59-5 Catalog No: AG000E99 MDL No:MFCD27980312
Product Description
Catalog Number:
AG000E99
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-1-carboxylic acid, 3-iodo-, 1,1-dimethylethyl ester
CAS Number:
1174038-59-5
Molecular Formula:
C12H13IN2O2
Molecular Weight:
344.1483
MDL Number:
MFCD27980312
IUPAC Name:
tert-butyl 3-iodopyrrolo[2,3-c]pyridine-1-carboxylate
InChI:
InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-7-9(13)8-4-5-14-6-10(8)15/h4-7H,1-3H3
InChI Key:
AMRGWNWBEHTBBT-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1cncc2)I)OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.152g/mol
Monoisotopic Mass:
344.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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