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1227269-25-1 | 1H-Indazole, 3,5-dichloro-6-nitro-
CAS No: 1227269-25-1 Catalog No: AG000J50 MDL No:
Product Description
Catalog Number:
AG000J50
Chemical Name:
1H-Indazole, 3,5-dichloro-6-nitro-
CAS Number:
1227269-25-1
Molecular Formula:
C7H3Cl2N3O2
Molecular Weight:
232.0236
IUPAC Name:
3,5-dichloro-6-nitro-2H-indazole
InChI:
InChI=1S/C7H3Cl2N3O2/c8-4-1-3-5(10-11-7(3)9)2-6(4)12(13)14/h1-2H,(H,10,11)
InChI Key:
HFQLCQUHDTXBPO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2[nH]nc(c2cc1Cl)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.02g/mol
Monoisotopic Mass:
230.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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