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2528-00-9 | Ethyl 5-(chloromethyl)furan-2-carboxylate
CAS No: 2528-00-9 Catalog No: AG003QBU MDL No:MFCD00173837
Product Description
Catalog Number:
AG003QBU
Chemical Name:
Ethyl 5-(chloromethyl)furan-2-carboxylate
CAS Number:
2528-00-9
Molecular Formula:
C8H9ClO3
Molecular Weight:
188.6083
MDL Number:
MFCD00173837
IUPAC Name:
ethyl 5-(chloromethyl)furan-2-carboxylate
InChI:
InChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
InChI Key:
JBACYJRMCXLIQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)CCl
NSC Number:
97518
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.607g/mol
Monoisotopic Mass:
188.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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