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23699-82-3 | 2-Oxazolidinone, 3-(3-bromophenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23699-82-3 Catalog No: AG002O6B MDL No:
Product Description
Catalog Number:
AG002O6B
Chemical Name:
2-Oxazolidinone, 3-(3-bromophenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23699-82-3
Molecular Formula:
C13H12BrNO3
Molecular Weight:
310.1433
IUPAC Name:
3-(3-bromophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H12BrNO3/c1-2-6-17-9-12-8-15(13(16)18-12)11-5-3-4-10(14)7-11/h1,3-5,7,12H,6,8-9H2
InChI Key:
KBVDHYMEDPWJLG-UHFFFAOYSA-N
SMILES:
C#CCOCC1OC(=O)N(C1)c1cccc(c1)Br
Properties
Complexity:
351
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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