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Home > Aldehydes > 1000342-42-6
1000342-42-6 | 1H-Indazole-3-carboxaldehyde, 6-chloro-4-nitro-
CAS No: 1000342-42-6 Catalog No: AG0000JR MDL No:
Product Description
Catalog Number:
AG0000JR
Chemical Name:
1H-Indazole-3-carboxaldehyde, 6-chloro-4-nitro-
CAS Number:
1000342-42-6
Molecular Formula:
C8H4ClN3O3
Molecular Weight:
225.5887
IUPAC Name:
6-chloro-4-nitro-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C8H4ClN3O3/c9-4-1-5-8(6(3-13)11-10-5)7(2-4)12(14)15/h1-3H,(H,10,11)
InChI Key:
IVOVYPDWDQYNKB-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1c(cc(c2)Cl)[N+](=O)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.588g/mol
Monoisotopic Mass:
224.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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