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1227270-30-5 | 1H-Indazole-6-carboxylic acid, 3-iodo-5-methyl-
CAS No: 1227270-30-5 Catalog No: AG000J5F MDL No:
Product Description
Catalog Number:
AG000J5F
Chemical Name:
1H-Indazole-6-carboxylic acid, 3-iodo-5-methyl-
CAS Number:
1227270-30-5
Molecular Formula:
C9H7IN2O2
Molecular Weight:
302.0685
IUPAC Name:
3-iodo-5-methyl-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C9H7IN2O2/c1-4-2-6-7(11-12-8(6)10)3-5(4)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChI Key:
KSFFDIPOWWJESB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]nc(c2cc1C)I
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.071g/mol
Monoisotopic Mass:
301.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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