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89204-91-1 | Methyl 5-(2-chlorophenyl);oxazole-4-carboxylate
CAS No: 89204-91-1 Catalog No: AG00446I MDL No:MFCD09878374
Product Description
Catalog Number:
AG00446I
Chemical Name:
Methyl 5-(2-chlorophenyl);oxazole-4-carboxylate
CAS Number:
89204-91-1
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
MDL Number:
MFCD09878374
IUPAC Name:
methyl 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C11H8ClNO3/c1-15-11(14)9-10(16-6-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChI Key:
OPVGROBAFGODPL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncoc1c1ccccc1Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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