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1227268-85-0 | 1H-Indazole-6-carboxylic acid, 5-iodo-, methyl ester
CAS No: 1227268-85-0 Catalog No: AG000J4N MDL No:MFCD16875731
Product Description
Catalog Number:
AG000J4N
Chemical Name:
1H-Indazole-6-carboxylic acid, 5-iodo-, methyl ester
CAS Number:
1227268-85-0
Molecular Formula:
C9H7IN2O2
Molecular Weight:
302.0686
MDL Number:
MFCD16875731
IUPAC Name:
methyl 5-iodo-1H-indazole-6-carboxylate
InChI:
InChI=1S/C9H7IN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12)
InChI Key:
DGCPPOUSEIOSMG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ncc2cc1I
Properties
Complexity:
237
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:
1
Isotope Atom Count:
0
Molecular Weight:
302.071g/mol
Monoisotopic Mass:
301.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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