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1799412-32-0 | 1H-Indazole-6-carboxylic acid, 4-iodo-
CAS No: 1799412-32-0 Catalog No: AG0021GP MDL No:
Product Description
Catalog Number:
AG0021GP
Chemical Name:
1H-Indazole-6-carboxylic acid, 4-iodo-
CAS Number:
1799412-32-0
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
IUPAC Name:
4-iodo-1H-indazole-6-carboxylic acid
InChI:
InChI=1S/C8H5IN2O2/c9-6-1-4(8(12)13)2-7-5(6)3-10-11-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
KMDFTMZKMGDHDL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c2c(c1)[nH]nc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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