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Home Nitro Compounds 1261966-64-6
1261966-64-6,MFCD18320542
Catalog No.:AA000S6F

1261966-64-6 | 3-(4-Methylthiophenyl)-5-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$211.00   $148.00
- +
5g
95%
in stock  
$610.00   $427.00
- +
10g
95%
in stock  
$1,009.00   $706.00
- +
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Technical Information
Catalog Number:
AA000S6F
Chemical Name:
3-(4-Methylthiophenyl)-5-nitrobenzoic acid
CAS Number:
1261966-64-6
Molecular Formula:
C14H11NO4S
Molecular Weight:
289.3064
MDL Number:
MFCD18320542
SMILES:
CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
363  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.4  

Literature
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Additional Info:
SDS
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Tags:1261966-64-6 Molecular Formula|1261966-64-6 MDL|1261966-64-6 SMILES|1261966-64-6 3-(4-Methylthiophenyl)-5-nitrobenzoic acid