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887568-16-3 | 6-Bromo-4-chloro-3-iodo-1H-indazole
CAS No: 887568-16-3 Catalog No: AG004F4X MDL No:MFCD07781856
Product Description
Catalog Number:
AG004F4X
Chemical Name:
6-Bromo-4-chloro-3-iodo-1H-indazole
CAS Number:
887568-16-3
Molecular Formula:
C7H3BrClIN2
Molecular Weight:
357.3736
MDL Number:
MFCD07781856
IUPAC Name:
6-bromo-4-chloro-3-iodo-2H-indazole
InChI:
InChI=1S/C7H3BrClIN2/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H,11,12)
InChI Key:
LFDHOIDUNKQALO-UHFFFAOYSA-N
SMILES:
Brc1cc(Cl)c2c(c1)[nH]nc2I
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.821g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.373g/mol
Monoisotopic Mass:
355.821g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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