Home Amines 383148-47-8
383148-47-8,MFCD03011846
Catalog No.:AA00IO0H

383148-47-8 | methyl (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate

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Technical Information
Catalog Number:
AA00IO0H
Chemical Name:
methyl (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate
CAS Number:
383148-47-8
Molecular Formula:
C12H10ClFN4O2
Molecular Weight:
296.6848
MDL Number:
MFCD03011846
SMILES:
COC(=O)/C(=C\Nc1ccc(c(c1)Cl)F)/n1cncn1
Properties
Computed Properties
 
Complexity:
383  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  

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SDS
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Tags:383148-47-8 Molecular Formula|383148-47-8 MDL|383148-47-8 SMILES|383148-47-8 methyl (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate