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885521-35-7

885521-35-7 | Methyl 4-fluoro-3-iodo-1H-indazole-6-carboxylate

CAS No: 885521-35-7 Catalog No: AG004CPC MDL No:MFCD07781734

Product Description

Catalog Number:
AG004CPC
Chemical Name:
Methyl 4-fluoro-3-iodo-1H-indazole-6-carboxylate
CAS Number:
885521-35-7
Molecular Formula:
C9H6FIN2O2
Molecular Weight:
320.0590
MDL Number:
MFCD07781734
IUPAC Name:
methyl 4-fluoro-3-iodo-2H-indazole-6-carboxylate
InChI:
InChI=1S/C9H6FIN2O2/c1-15-9(14)4-2-5(10)7-6(3-4)12-13-8(7)11/h2-3H,1H3,(H,12,13)
InChI Key:
PMZQFVMRZYNAJS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c2c(c1)[nH]nc2I

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.946g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.062g/mol
Monoisotopic Mass:
319.946g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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