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54023-01-7 | 5-(3,4-Dichlorophenyl)-2-furoic acid
CAS No: 54023-01-7 Catalog No: AG003M4A MDL No:
Product Description
Catalog Number:
AG003M4A
Chemical Name:
5-(3,4-Dichlorophenyl)-2-furoic acid
CAS Number:
54023-01-7
Molecular Formula:
C11H6Cl2O3
Molecular Weight:
257.0695
IUPAC Name:
5-(3,4-dichlorophenyl)furan-2-carboxylic acid
InChI:
InChI=1S/C11H6Cl2O3/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChI Key:
GNXLBNMHCYYSPU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.066g/mol
Monoisotopic Mass:
255.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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