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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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