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1000342-47-1 | 1H-Indazole, 6-chloro-3-iodo-5-nitro-
CAS No: 1000342-47-1 Catalog No: AG0000JM MDL No:MFCD08690112
Product Description
Catalog Number:
AG0000JM
Chemical Name:
1H-Indazole, 6-chloro-3-iodo-5-nitro-
CAS Number:
1000342-47-1
Molecular Formula:
C7H3ClIN3O2
Molecular Weight:
323.4751
MDL Number:
MFCD08690112
IUPAC Name:
6-chloro-3-iodo-5-nitro-2H-indazole
InChI:
InChI=1S/C7H3ClIN3O2/c8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h1-2H,(H,10,11)
InChI Key:
DBFHOJJVQRLTIO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(I)n[nH]c2cc1Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.896g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.474g/mol
Monoisotopic Mass:
322.896g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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