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89044-73-5 | 2-Azetidinone, 1-(4-bromobutyl)-4-phenyl-
CAS No: 89044-73-5 Catalog No: AG004223 MDL No:
Product Description
Catalog Number:
AG004223
Chemical Name:
2-Azetidinone, 1-(4-bromobutyl)-4-phenyl-
CAS Number:
89044-73-5
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
IUPAC Name:
1-(4-bromobutyl)-4-phenylazetidin-2-one
InChI:
InChI=1S/C13H16BrNO/c14-8-4-5-9-15-12(10-13(15)16)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChI Key:
XEHYVBNPVKPSOM-UHFFFAOYSA-N
SMILES:
BrCCCCN1C(=O)CC1c1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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