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Home Bromides 1000577-91-2
1000577-91-2,MFCD09800816
Catalog No.:AA0000OT

1000577-91-2 | Benzonitrile, 3-bromo-4-isothiocyanato-

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Technical Information
Catalog Number:
AA0000OT
Chemical Name:
Benzonitrile, 3-bromo-4-isothiocyanato-
CAS Number:
1000577-91-2
Molecular Formula:
C8H3BrN2S
Molecular Weight:
239.0918
MDL Number:
MFCD09800816
SMILES:
S=C=Nc1ccc(cc1Br)C#N
Properties
Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
3.7  

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SDS
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Tags:1000577-91-2 Molecular Formula|1000577-91-2 MDL|1000577-91-2 SMILES|1000577-91-2 Benzonitrile, 3-bromo-4-isothiocyanato-