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1227270-79-2 | 1H-Indazole-6-carboxylic acid, 5-chloro-3-iodo-, methyl ester
CAS No: 1227270-79-2 Catalog No: AG000J72 MDL No:MFCD16875822
Product Description
Catalog Number:
AG000J72
Chemical Name:
1H-Indazole-6-carboxylic acid, 5-chloro-3-iodo-, methyl ester
CAS Number:
1227270-79-2
Molecular Formula:
C9H6ClIN2O2
Molecular Weight:
336.5136
MDL Number:
MFCD16875822
IUPAC Name:
methyl 5-chloro-3-iodo-2H-indazole-6-carboxylate
InChI:
InChI=1S/C9H6ClIN2O2/c1-15-9(14)4-3-7-5(2-6(4)10)8(11)13-12-7/h2-3H,1H3,(H,12,13)
InChI Key:
MNBVUYGQRIXKAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]nc(c2cc1Cl)I
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.916g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.513g/mol
Monoisotopic Mass:
335.916g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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