Home Halogens 5-{[(2-chloro-6-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

5-{[(2-chloro-6-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

CAS No.:
861454-08-2
Catalog Number:
AG01AIZY
Molecular Formula:
C14H11ClFN3O
Molecular Weight:
291.7080
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Product Description
Catalog Number:
AG01AIZY
Chemical Name:
5-{[(2-chloro-6-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS Number:
861454-08-2
Molecular Formula:
C14H11ClFN3O
Molecular Weight:
291.7080
MDL Number:
MFCD07611014
IUPAC Name:
5-[(2-chloro-6-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C14H11ClFN3O/c15-10-2-1-3-11(16)9(10)7-17-8-4-5-12-13(6-8)19-14(20)18-12/h1-6,17H,7H2,(H2,18,19,20)
InChI Key:
DXYPMVLKMLGTTN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)ccc(c2)NCc1c(F)cccc1Cl
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
291.71g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties