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1167056-07-6 | 1H-Indazole, 3,4,7-trichloro-5-methoxy-
CAS No: 1167056-07-6 Catalog No: AG000D2K MDL No:
Product Description
Catalog Number:
AG000D2K
Chemical Name:
1H-Indazole, 3,4,7-trichloro-5-methoxy-
CAS Number:
1167056-07-6
Molecular Formula:
C8H5Cl3N2O
Molecular Weight:
251.4971
IUPAC Name:
3,4,7-trichloro-5-methoxy-2H-indazole
InChI:
InChI=1S/C8H5Cl3N2O/c1-14-4-2-3(9)7-5(6(4)10)8(11)13-12-7/h2H,1H3,(H,12,13)
InChI Key:
RWCWIFBBMLAPBF-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c2c(c1Cl)c(Cl)n[nH]2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.947g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.491g/mol
Monoisotopic Mass:
249.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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