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1312581-07-9 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-2-iodo-1-(methoxymethyl)-, methyl ester
CAS No: 1312581-07-9 Catalog No: AG000VSM MDL No:
Product Description
Catalog Number:
AG000VSM
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-2-iodo-1-(methoxymethyl)-, methyl ester
CAS Number:
1312581-07-9
Molecular Formula:
C11H10ClIN2O3
Molecular Weight:
380.5662
IUPAC Name:
methyl 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C11H10ClIN2O3/c1-17-5-15-8(13)3-6-9(12)7(11(16)18-2)4-14-10(6)15/h3-4H,5H2,1-2H3
InChI Key:
BFLIZXOJMLSREU-UHFFFAOYSA-N
SMILES:
COCn1c(I)cc2c1ncc(c2Cl)C(=O)OC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.942g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.566g/mol
Monoisotopic Mass:
379.942g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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