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58235-81-7 | Methyl 5-chlorofuran-2-carboxylate
CAS No: 58235-81-7 Catalog No: AG003RXO MDL No:MFCD00092875
Product Description
Catalog Number:
AG003RXO
Chemical Name:
Methyl 5-chlorofuran-2-carboxylate
CAS Number:
58235-81-7
Molecular Formula:
C6H5ClO3
Molecular Weight:
160.5551
MDL Number:
MFCD00092875
IUPAC Name:
methyl 5-chlorofuran-2-carboxylate
InChI:
InChI=1S/C6H5ClO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChI Key:
WXVHAUZPVNUGSJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.993g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.553g/mol
Monoisotopic Mass:
159.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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