Name: Name:5-((4-Chloro-3-methylphenoxy)methyl)furan-2-carboxylic acid
Brand: Angene
SKU: AG00JB72
Rating: 90 (10 reviews)

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

CAS No.:

406470-55-1

Catalog Number:

AG00JB72

Molecular Formula:

C13H11ClO4

Molecular Weight:

266.6770

Catalog Number:

AG00JB72

Chemical Name:

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

CAS Number:

406470-55-1

Molecular Formula:

C13H11ClO4

Molecular Weight:

266.6770

MDL Number:

MFCD02090846

IUPAC Name:

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

InChI:

InChI=1S/C13H11ClO4/c1-8-6-9(2-4-11(8)14)17-7-10-3-5-12(18-10)13(15)16/h2-6H,7H2,1H3,(H,15,16)

InChI Key:

QTABSYVYXVDOQN-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(o1)COc1ccc(c(c1)C)Cl

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.677g/mol

Monoisotopic Mass:

266.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3