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944898-81-1 | 3-Iodo-4-methoxy-1H-indazole
CAS No: 944898-81-1 Catalog No: AG005WU4 MDL No:MFCD10696794
Product Description
Catalog Number:
AG005WU4
Chemical Name:
3-Iodo-4-methoxy-1H-indazole
CAS Number:
944898-81-1
Molecular Formula:
C8H7IN2O
Molecular Weight:
274.0585
MDL Number:
MFCD10696794
IUPAC Name:
3-iodo-4-methoxy-2H-indazole
InChI:
InChI=1S/C8H7IN2O/c1-12-6-4-2-3-5-7(6)8(9)11-10-5/h2-4H,1H3,(H,10,11)
InChI Key:
WTBLMJGTCGQTPN-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(I)n[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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