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1193244-87-9 | 1H-Pyrazole-3-carboxylic acid, 5-iodo-1-methyl-, methyl ester
CAS No: 1193244-87-9 Catalog No: AG000IL4 MDL No:MFCD16660450
Product Description
Catalog Number:
AG000IL4
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-iodo-1-methyl-, methyl ester
CAS Number:
1193244-87-9
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
MDL Number:
MFCD16660450
IUPAC Name:
methyl 5-iodo-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C6H7IN2O2/c1-9-5(7)3-4(8-9)6(10)11-2/h3H,1-2H3
InChI Key:
HYDPNCNQIISDFL-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c(c1)I)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.038g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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