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885519-69-7 | 3-Iodo-6-nitro-1H-indazole-4-carboxylic acid
CAS No: 885519-69-7 Catalog No: AG004D78 MDL No:MFCD07781681
Product Description
Catalog Number:
AG004D78
Chemical Name:
3-Iodo-6-nitro-1H-indazole-4-carboxylic acid
CAS Number:
885519-69-7
Molecular Formula:
C8H4IN3O4
Molecular Weight:
333.0395
MDL Number:
MFCD07781681
IUPAC Name:
3-iodo-6-nitro-2H-indazole-4-carboxylic acid
InChI:
InChI=1S/C8H4IN3O4/c9-7-6-4(8(13)14)1-3(12(15)16)2-5(6)10-11-7/h1-2H,(H,10,11)(H,13,14)
InChI Key:
BUSZQGUBXDDYLZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c2c(c1)[nH]nc2I
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.925g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.041g/mol
Monoisotopic Mass:
332.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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