Name: Name:3-chloro-4-isopropoxy-5-methoxy-benzoic acid
Brand: Angene
SKU: AG00ICL4
Rating: 90 (10 reviews)

3-chloro-4-isopropoxy-5-methoxy-benzoic acid

CAS No.:

749920-56-7

Catalog Number:

AG00ICL4

Molecular Formula:

C11H13ClO4

Molecular Weight:

244.6715

Catalog Number:

AG00ICL4

Chemical Name:

3-chloro-4-isopropoxy-5-methoxy-benzoic acid

CAS Number:

749920-56-7

Molecular Formula:

C11H13ClO4

Molecular Weight:

244.6715

MDL Number:

MFCD06197244

IUPAC Name:

3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid

InChI:

InChI=1S/C11H13ClO4/c1-6(2)16-10-8(12)4-7(11(13)14)5-9(10)15-3/h4-6H,1-3H3,(H,13,14)

InChI Key:

SHWDMVBTBWPOON-UHFFFAOYSA-N

SMILES:

COc1cc(cc(c1OC(C)C)Cl)C(=O)O

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.671g/mol

Monoisotopic Mass:

244.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8