Name: Name:7-Benzofurancarboxylic acid, 4-(acetylamino)-5-chloro-2,3-dihydro-, methyl ester
Brand: Angene
SKU: AG001IJW
Rating: 90 (10 reviews)

7-Benzofurancarboxylic acid, 4-(acetylamino)-5-chloro-2,3-dihydro-, methyl ester

CAS No.:

143878-29-9

Catalog Number:

AG001IJW

Molecular Formula:

C12H12ClNO4

Molecular Weight:

269.6810

Catalog Number:

AG001IJW

Chemical Name:

7-Benzofurancarboxylic acid, 4-(acetylamino)-5-chloro-2,3-dihydro-, methyl ester

CAS Number:

143878-29-9

Molecular Formula:

C12H12ClNO4

Molecular Weight:

269.6810

MDL Number:

MFCD22381061

IUPAC Name:

methyl 4-acetamido-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate

InChI:

InChI=1S/C12H12ClNO4/c1-6(15)14-10-7-3-4-18-11(7)8(5-9(10)13)12(16)17-2/h5H,3-4H2,1-2H3,(H,14,15)

InChI Key:

LCPRNYGRYCDBOM-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Cl)c(c2c1OCC2)NC(=O)C

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.681g/mol

Monoisotopic Mass:

269.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6