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1260891-49-3 | 1H-Indazole, 3,5,6-trichloro-
CAS No: 1260891-49-3 Catalog No: AG000RJX MDL No:
Product Description
Catalog Number:
AG000RJX
Chemical Name:
1H-Indazole, 3,5,6-trichloro-
CAS Number:
1260891-49-3
Molecular Formula:
C7H3Cl3N2
Molecular Weight:
221.4711
IUPAC Name:
3,5,6-trichloro-2H-indazole
InChI:
InChI=1S/C7H3Cl3N2/c8-4-1-3-6(2-5(4)9)11-12-7(3)10/h1-2H,(H,11,12)
InChI Key:
OYOCRGWIWDUJNB-UHFFFAOYSA-N
SMILES:
Clc1cc2c(Cl)n[nH]c2cc1Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.936g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.465g/mol
Monoisotopic Mass:
219.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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