Home Halogens 5-(2-chloroacetyl)furan-3-carboxylic acid

5-(2-chloroacetyl)furan-3-carboxylic acid

CAS No.:
1251924-13-6
Catalog Number:
AG01A9MI
Molecular Formula:
C7H5ClO4
Molecular Weight:
188.5652
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Product Description
Catalog Number:
AG01A9MI
Chemical Name:
5-(2-chloroacetyl)furan-3-carboxylic acid
CAS Number:
1251924-13-6
Molecular Formula:
C7H5ClO4
Molecular Weight:
188.5652
MDL Number:
MFCD16817412
IUPAC Name:
5-(2-chloroacetyl)furan-3-carboxylic acid
InChI:
InChI=1S/C7H5ClO4/c8-2-5(9)6-1-4(3-12-6)7(10)11/h1,3H,2H2,(H,10,11)
InChI Key:
PPAQBKZLWGHNAC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(oc1)C(=O)CCl
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.988g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.563g/mol
Monoisotopic Mass:
187.988g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties