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101420-98-8,MFCD08690109
Catalog No.:AA0004E5
101420-98-8 | 6-Chloro-5-nitro-1H-indazole
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1g
95%
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$1,025.00   $718.00
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Technical Information
Catalog Number:
AA0004E5
Chemical Name:
6-Chloro-5-nitro-1H-indazole
CAS Number:
101420-98-8
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD08690109
IUPAC Name:
6-chloro-5-nitro-1H-indazole
InChI:
InChI=1S/C7H4ClN3O2/c8-5-2-6-4(3-9-10-6)1-7(5)11(12)13/h1-3H,(H,9,10)
InChI Key:
SXVCMKGCWGVSSX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cn[nH]c2cc1Cl
Properties
Computed Properties
 
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
6-Chloro-5-nitro-1H-indazole 
101420-98-8 
KS-000000JE 
FCH862465 
MFCD08690109 
ZINC14985640 
AKOS006288557 
CC-2173 
SB16276 
AJ-66376 
AK139861 
CJ-14847 
1H-Indazole, 6-chloro-5-nitro- 
DA-48380 
AX8248314 
ST1100688 
4CH-000076 
CS-0060137 
FT-0728368 
W-1217 
6-chloro-5-nitroindazole 
ACMC-20m4gx 
SCHEMBL3769121 
SCHEMBL16899144 
CTK0G8210 
DTXSID90603781 
6-chloro-5-nitro-1(2)H-indazole 
Literature
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