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88252-49-7 | 2-Azetidinone, 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-phenyl-, trans-
CAS No: 88252-49-7 Catalog No: AG004CH4 MDL No:
Product Description
Catalog Number:
AG004CH4
Chemical Name:
2-Azetidinone, 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-phenyl-, trans-
CAS Number:
88252-49-7
Molecular Formula:
C22H18ClNO2
Molecular Weight:
363.8368
IUPAC Name:
(3S,4S)-3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-phenylazetidin-2-one
InChI:
InChI=1S/C22H18ClNO2/c1-15-7-5-6-10-19(15)24-20(16-8-3-2-4-9-16)21(22(24)25)26-18-13-11-17(23)12-14-18/h2-14,20-21H,1H3/t20-,21-/m0/s1
InChI Key:
XBQAPFAUVNVECP-SFTDATJTSA-N
SMILES:
Clc1ccc(cc1)O[C@@H]1C(=O)N([C@H]1c1ccccc1)c1ccccc1C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
363.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.841g/mol
Monoisotopic Mass:
363.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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