Name: Name:5-((4-Chloro-3,5-dimethylphenoxy)methyl)furan-2-carboxylic acid
Brand: Angene
SKU: AG00JEAI
Rating: 90 (10 reviews)

5-((4-Chloro-3,5-dimethylphenoxy)methyl)furan-2-carboxylic acid

CAS No.:

861438-59-7

Catalog Number:

AG00JEAI

Molecular Formula:

C14H13ClO4

Molecular Weight:

280.7036

Catalog Number:

AG00JEAI

Chemical Name:

5-((4-Chloro-3,5-dimethylphenoxy)methyl)furan-2-carboxylic acid

CAS Number:

861438-59-7

Molecular Formula:

C14H13ClO4

Molecular Weight:

280.7036

MDL Number:

MFCD03421878

IUPAC Name:

5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid

InChI:

InChI=1S/C14H13ClO4/c1-8-5-11(6-9(2)13(8)15)18-7-10-3-4-12(19-10)14(16)17/h3-6H,7H2,1-2H3,(H,16,17)

InChI Key:

PKAGAGHZBLSWLS-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(o1)COc1cc(C)c(c(c1)C)Cl

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.704g/mol

Monoisotopic Mass:

280.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7