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88407-76-5 | 2-Azetidinone, 4-acetyl-1-(4-chlorophenyl)-4-methyl-3-phenyl-
CAS No: 88407-76-5 Catalog No: AG004HZX MDL No:
Product Description
Catalog Number:
AG004HZX
Chemical Name:
2-Azetidinone, 4-acetyl-1-(4-chlorophenyl)-4-methyl-3-phenyl-
CAS Number:
88407-76-5
Molecular Formula:
C18H16ClNO2
Molecular Weight:
313.7781
IUPAC Name:
4-acetyl-1-(4-chlorophenyl)-4-methyl-3-phenylazetidin-2-one
InChI:
InChI=1S/C18H16ClNO2/c1-12(21)18(2)16(13-6-4-3-5-7-13)17(22)20(18)15-10-8-14(19)9-11-15/h3-11,16H,1-2H3
InChI Key:
ZGZKEPAOWZSCNQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N1C(=O)C(C1(C)C(=O)C)c1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.781g/mol
Monoisotopic Mass:
313.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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