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1227270-79-2,MFCD16875822
Catalog No.:AA000J4A
1227270-79-2 | 1H-Indazole-6-carboxylic acid, 5-chloro-3-iodo-, methyl ester
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100mg
95+%
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$114.00
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250mg
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$182.00
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Technical Information
Catalog Number:
AA000J4A
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
Computed 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  

Synonyms
 
1227270-79-2 
Methyl 5-chloro-3-iodo-1H-indazole-6-carboxylate 
methyl 5-chloro-3-iodo-2H-indazole-6-carboxylate 
1H-Indazole-6-carboxylic acid, 5-chloro-3-iodo-, methyl ester 
Methyl 3-iodo-5-chloro-1H-indazole-6-carboxylate 
3-Iodo-5-chloro-(1H)indazole-6-carboxylic methyl ester 
3-Iodo-5-chloro-1H-indazole-6-carboxylic acid methyl ester 
MFCD16875822 
ZINC96321157 
AKOS027254103 
AK204362 
DS-10360 
W-1873 
Literature
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