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23598-47-2 | 2-Oxazolidinone, 3-(3,4-dichlorophenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23598-47-2 Catalog No: AG002NTE MDL No:
Product Description
Catalog Number:
AG002NTE
Chemical Name:
2-Oxazolidinone, 3-(3,4-dichlorophenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-47-2
Molecular Formula:
C13H11Cl2NO3
Molecular Weight:
300.1373
IUPAC Name:
3-(3,4-dichlorophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H11Cl2NO3/c1-2-5-18-8-10-7-16(13(17)19-10)9-3-4-11(14)12(15)6-9/h1,3-4,6,10H,5,7-8H2
InChI Key:
GLUQRKYHTNMGOQ-UHFFFAOYSA-N
SMILES:
C#CCOCC1OC(=O)N(C1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.135g/mol
Monoisotopic Mass:
299.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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