Name: Name:1,3-dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate
Brand: Angene
SKU: AG00I5LZ
Rating: 90 (10 reviews)

1,3-dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate

CAS No.:

300676-07-7

Catalog Number:

AG00I5LZ

Molecular Formula:

C18H18ClNO5

Molecular Weight:

363.7922

Catalog Number:

AG00I5LZ

Chemical Name:

1,3-dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate

CAS Number:

300676-07-7

Molecular Formula:

C18H18ClNO5

Molecular Weight:

363.7922

MDL Number:

MFCD01918264

IUPAC Name:

dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate

InChI:

InChI=1S/C18H18ClNO5/c1-10-5-15(16(21)9-19)11(2)20(10)14-7-12(17(22)24-3)6-13(8-14)18(23)25-4/h5-8H,9H2,1-4H3

InChI Key:

AVWZOYDPDONNBX-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)c1cc(cc(c1)C(=O)OC)C(=O)OC)C

Complexity:

502

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

363.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

363.794g/mol

Monoisotopic Mass:

363.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1