Home Halogens 4-(2-chloroacetyl)-5-methylfuran-2-carboxylic acid

4-(2-chloroacetyl)-5-methylfuran-2-carboxylic acid

CAS No.:
1311317-83-5
Catalog Number:
AG01AHLH
Molecular Formula:
C8H7ClO4
Molecular Weight:
202.5918
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Product Description
Catalog Number:
AG01AHLH
Chemical Name:
4-(2-chloroacetyl)-5-methylfuran-2-carboxylic acid
CAS Number:
1311317-83-5
Molecular Formula:
C8H7ClO4
Molecular Weight:
202.5918
MDL Number:
MFCD18785520
IUPAC Name:
4-(2-chloroacetyl)-5-methylfuran-2-carboxylic acid
InChI:
InChI=1S/C8H7ClO4/c1-4-5(6(10)3-9)2-7(13-4)8(11)12/h2H,3H2,1H3,(H,11,12)
InChI Key:
ZGZNFCAAUDQIBP-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(oc1C)C(=O)O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.003g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.59g/mol
Monoisotopic Mass:
202.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties