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127039-04-7 | 2-Furancarboxylic acid, chloromethyl ester
CAS No: 127039-04-7 Catalog No: AG000WMD MDL No:
Product Description
Catalog Number:
AG000WMD
Chemical Name:
2-Furancarboxylic acid, chloromethyl ester
CAS Number:
127039-04-7
Molecular Formula:
C6H5ClO3
Molecular Weight:
160.5551
IUPAC Name:
chloromethyl furan-2-carboxylate
InChI:
InChI=1S/C6H5ClO3/c7-4-10-6(8)5-2-1-3-9-5/h1-3H,4H2
InChI Key:
WPGXILUGNJHMPE-UHFFFAOYSA-N
SMILES:
ClCOC(=O)c1ccco1
Properties
Complexity:
126
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:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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