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138714-63-3 | 2-Azetidinone, 1-(4-bromophenyl)-4-(4-chlorophenyl)-3-phenyl-, trans- (9CI)
CAS No: 138714-63-3 Catalog No: AG00192H MDL No:
Product Description
Catalog Number:
AG00192H
Chemical Name:
2-Azetidinone, 1-(4-bromophenyl)-4-(4-chlorophenyl)-3-phenyl-, trans- (9CI)
CAS Number:
138714-63-3
Molecular Formula:
C21H15BrClNO
Molecular Weight:
412.7069
IUPAC Name:
1-(4-bromophenyl)-4-(4-chlorophenyl)-3-phenylazetidin-2-one
InChI:
InChI=1S/C21H15BrClNO/c22-16-8-12-18(13-9-16)24-20(15-6-10-17(23)11-7-15)19(21(24)25)14-4-2-1-3-5-14/h1-13,19-20H
InChI Key:
FHKXDZLLPDXCJJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)[C@@H]1N(c2ccc(cc2)Br)C(=O)[C@H]1c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.003g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.711g/mol
Monoisotopic Mass:
411.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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