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89205-25-4 | 4-Oxazolecarbonyl chloride, 5-(3,4,5-trimethoxyphenyl)-
CAS No: 89205-25-4 Catalog No: AG004467 MDL No:
Product Description
Catalog Number:
AG004467
Chemical Name:
4-Oxazolecarbonyl chloride, 5-(3,4,5-trimethoxyphenyl)-
CAS Number:
89205-25-4
Molecular Formula:
C13H12ClNO5
Molecular Weight:
297.6911
IUPAC Name:
5-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C13H12ClNO5/c1-17-8-4-7(5-9(18-2)12(8)19-3)11-10(13(14)16)15-6-20-11/h4-6H,1-3H3
InChI Key:
JOXLYSDEWOBXMA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1ocnc1C(=O)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.691g/mol
Monoisotopic Mass:
297.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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