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885523-20-6 | 6-IODO-4-METHOXY (1H)INDAZOLE
CAS No: 885523-20-6 Catalog No: AG00GZRX MDL No:MFCD07781989
Product Description
Catalog Number:
AG00GZRX
Chemical Name:
6-IODO-4-METHOXY (1H)INDAZOLE
CAS Number:
885523-20-6
Molecular Formula:
C8H7IN2O
Molecular Weight:
274.0585
MDL Number:
MFCD07781989
IUPAC Name:
6-iodo-4-methoxy-1H-indazole
InChI:
InChI=1S/C8H7IN2O/c1-12-8-3-5(9)2-7-6(8)4-10-11-7/h2-4H,1H3,(H,10,11)
InChI Key:
MOUMKHFEGXJCNG-UHFFFAOYSA-N
SMILES:
COc1cc(I)cc2c1cn[nH]2
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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