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23598-66-5

23598-66-5 | 2-Oxazolidinone, 3-(4-bromophenyl)-5-[(2-propyn-1-yloxy)methyl]-

CAS No: 23598-66-5 Catalog No: AG002NUB MDL No:

Product Description

Catalog Number:
AG002NUB
Chemical Name:
2-Oxazolidinone, 3-(4-bromophenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-66-5
Molecular Formula:
C13H12BrNO3
Molecular Weight:
310.1433
IUPAC Name:
3-(4-bromophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H12BrNO3/c1-2-7-17-9-12-8-15(13(16)18-12)11-5-3-10(14)4-6-11/h1,3-6,12H,7-9H2
InChI Key:
GOLHUDRMIGSZLX-UHFFFAOYSA-N
SMILES:
C#CCOCC1CN(C(=O)O1)c1ccc(cc1)Br

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.147g/mol
Monoisotopic Mass:
309g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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