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936138-17-9 | 3-Iodo-6-methoxy-1H-indazole
CAS No: 936138-17-9 Catalog No: AG006EWU MDL No:MFCD09266218
Product Description
Catalog Number:
AG006EWU
Chemical Name:
3-Iodo-6-methoxy-1H-indazole
CAS Number:
936138-17-9
Molecular Formula:
C8H7IN2O
Molecular Weight:
274.0584
MDL Number:
MFCD09266218
IUPAC Name:
3-iodo-6-methoxy-2H-indazole
InChI:
InChI=1S/C8H7IN2O/c1-12-5-2-3-6-7(4-5)10-11-8(6)9/h2-4H,1H3,(H,10,11)
InChI Key:
OHXDNTHWTHMKRG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]nc2I
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.061g/mol
Monoisotopic Mass:
273.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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