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1027512-49-7,MFCD09800696
Catalog No.:AA01FCFE

1027512-49-7 | 3-Carboxy-4-chlorophenylisothiocyanate

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  • Technical Information
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Technical Information
Catalog Number:
AA01FCFE
Chemical Name:
3-Carboxy-4-chlorophenylisothiocyanate
CAS Number:
1027512-49-7
Molecular Formula:
C8H4ClNO2S
Molecular Weight:
213.6409
MDL Number:
MFCD09800696
SMILES:
S=C=Nc1ccc(c(c1)C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
253  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.6  

Literature
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Additional Info:
SDS
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