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Home > Fluorides > 1000342-06-2
1000342-06-2 | 1H-Indazole, 4,7-difluoro-3-iodo-
CAS No: 1000342-06-2 Catalog No: AG0000J1 MDL No:
Product Description
Catalog Number:
AG0000J1
Chemical Name:
1H-Indazole, 4,7-difluoro-3-iodo-
CAS Number:
1000342-06-2
Molecular Formula:
C7H3F2IN2
Molecular Weight:
280.0134
IUPAC Name:
4,7-difluoro-3-iodo-2H-indazole
InChI:
InChI=1S/C7H3F2IN2/c8-3-1-2-4(9)6-5(3)7(10)12-11-6/h1-2H,(H,11,12)
InChI Key:
TYGHMUGMVQEKTP-UHFFFAOYSA-N
SMILES:
Fc1ccc(c2c1c(I)n[nH]2)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.016g/mol
Monoisotopic Mass:
279.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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