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885521-46-0 | 3-Iodo-1H-indazole-5-carboxylic acid
CAS No: 885521-46-0 Catalog No: AG0038DM MDL No:MFCD07781585
Product Description
Catalog Number:
AG0038DM
Chemical Name:
3-Iodo-1H-indazole-5-carboxylic acid
CAS Number:
885521-46-0
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
MDL Number:
MFCD07781585
IUPAC Name:
3-iodo-2H-indazole-5-carboxylic acid
InChI:
InChI=1S/C8H5IN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
DYZNTIADYAHDQK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(I)n[nH]c2cc1
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:
1.8
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