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3137-84-6,MFCD00060375
Catalog No.:AA007JKK

3137-84-6 | Benzoic acid,3-isothiocyanato-, ethyl ester

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1g
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$88.00   $62.00
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Technical Information
Catalog Number:
AA007JKK
Chemical Name:
Benzoic acid,3-isothiocyanato-, ethyl ester
CAS Number:
3137-84-6
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD00060375
SMILES:
CCOC(=O)c1cccc(c1)N=C=S
Properties
Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
4  
XLogP3:
3.9  

Literature
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SDS
Tags:3137-84-6 Molecular Formula|3137-84-6 MDL|3137-84-6 SMILES|3137-84-6 Benzoic acid,3-isothiocyanato-, ethyl ester