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885274-70-4 | Ethyl 2-(2-chlorophenyl)oxazole-4-carboxylate
CAS No: 885274-70-4 Catalog No: AG0046CI MDL No:MFCD06738616
Product Description
Catalog Number:
AG0046CI
Chemical Name:
Ethyl 2-(2-chlorophenyl)oxazole-4-carboxylate
CAS Number:
885274-70-4
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD06738616
IUPAC Name:
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChI Key:
SYBXCOYUUMNILH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)c1ccccc1Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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