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81778-57-6 | 3-Isoxazolidinone, 2-[(2-chloro-4-methoxyphenyl)methyl]-4,4-dimethyl-
CAS No: 81778-57-6 Catalog No: AG005I1U MDL No:
Product Description
Catalog Number:
AG005I1U
Chemical Name:
3-Isoxazolidinone, 2-[(2-chloro-4-methoxyphenyl)methyl]-4,4-dimethyl-
CAS Number:
81778-57-6
Molecular Formula:
C13H16ClNO3
Molecular Weight:
269.7240
IUPAC Name:
2-[(2-chloro-4-methoxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C13H16ClNO3/c1-13(2)8-18-15(12(13)16)7-9-4-5-10(17-3)6-11(9)14/h4-6H,7-8H2,1-3H3
InChI Key:
XRQDYLGWKVMPCH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Cl)CN1OCC(C1=O)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.725g/mol
Monoisotopic Mass:
269.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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