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1378029-49-2 | 2-Azetidinone, 3-(2-chloroethyl)-4-phenyl-1-(phenylmethyl)-, (3R,4S)-rel-
CAS No: 1378029-49-2 Catalog No: AG0013V6 MDL No:
Product Description
Catalog Number:
AG0013V6
Chemical Name:
2-Azetidinone, 3-(2-chloroethyl)-4-phenyl-1-(phenylmethyl)-, (3R,4S)-rel-
CAS Number:
1378029-49-2
Molecular Formula:
C18H18ClNO
Molecular Weight:
299.7946
IUPAC Name:
(3S,4R)-1-benzyl-3-(2-chloroethyl)-4-phenylazetidin-2-one
InChI:
InChI=1S/C18H18ClNO/c19-12-11-16-17(15-9-5-2-6-10-15)20(18(16)21)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChI Key:
APIYWPJUIMTDRP-IRXDYDNUSA-N
SMILES:
ClCC[C@H]1C(=O)N([C@@H]1c1ccccc1)Cc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
299.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.798g/mol
Monoisotopic Mass:
299.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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