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Benclonidine

CAS No.:
57647-79-7
Catalog Number:
AG0037KH
Molecular Formula:
C16H13Cl2N3O
Molecular Weight:
334.1999
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Product Description
Catalog Number:
AG0037KH
Chemical Name:
Benclonidine
CAS Number:
57647-79-7
Molecular Formula:
C16H13Cl2N3O
Molecular Weight:
334.1999
MDL Number:
MFCD00869158
IUPAC Name:
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
InChI:
InChI=1S/C16H13Cl2N3O/c17-12-7-4-8-13(18)14(12)20-16-19-9-10-21(16)15(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChI Key:
YHEMKMZUJKPOCO-UHFFFAOYSA-N
SMILES:
O=C(N1CCN=C1Nc1c(Cl)cccc1Cl)c1ccccc1
UNII:
1999398A3P
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.044g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
334.2g/mol
Monoisotopic Mass:
333.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties