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84257-93-2 | 2-Azetidinone, 1-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-3-chloro-
CAS No: 84257-93-2 Catalog No: AG004YPU MDL No:
Product Description
Catalog Number:
AG004YPU
Chemical Name:
2-Azetidinone, 1-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-3-chloro-
CAS Number:
84257-93-2
Molecular Formula:
C16H11BrClN3O
Molecular Weight:
376.6350
IUPAC Name:
1-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-3-chloroazetidin-2-one
InChI:
InChI=1S/C16H11BrClN3O/c17-10-7-5-9(6-8-10)14-13(18)15(22)21(14)16-19-11-3-1-2-4-12(11)20-16/h1-8,13-14H,(H,19,20)
InChI Key:
YAHQYEIGPOGBDE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1C(Cl)C(=O)N1c1nc2c([nH]1)cccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.977g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.638g/mol
Monoisotopic Mass:
374.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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