Name: Name:1H-Pyrrole-3-carboxylic acid, 5-(chloroacetyl)-2,4-dimethyl-, methyl ester (9CI)
Brand: Angene
SKU: AG00CY55
Rating: 90 (10 reviews)

1H-Pyrrole-3-carboxylic acid, 5-(chloroacetyl)-2,4-dimethyl-, methyl ester (9CI)

CAS No.:

356568-77-9

Catalog Number:

AG00CY55

Molecular Formula:

C10H12ClNO3

Molecular Weight:

229.6602

Catalog Number:

AG00CY55

Chemical Name:

1H-Pyrrole-3-carboxylic acid, 5-(chloroacetyl)-2,4-dimethyl-, methyl ester (9CI)

CAS Number:

356568-77-9

Molecular Formula:

C10H12ClNO3

Molecular Weight:

229.6602

MDL Number:

MFCD01917515

IUPAC Name:

methyl 5-(2-chloroacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

InChI:

InChI=1S/C10H12ClNO3/c1-5-8(10(14)15-3)6(2)12-9(5)7(13)4-11/h12H,4H2,1-3H3

InChI Key:

QMSNZKSVBGIMCE-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1[nH]c(c(c1C)C(=O)OC)C

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.66g/mol

Monoisotopic Mass:

229.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: