Name: Name:Ethanone, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-chloro- (9CI)
Brand: Angene
SKU: AG00G3XP
Rating: 90 (10 reviews)

Ethanone, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-chloro- (9CI)

CAS No.:

750611-31-5

Catalog Number:

AG00G3XP

Molecular Formula:

C10H12ClNO2

Molecular Weight:

213.6608

Catalog Number:

AG00G3XP

Chemical Name:

Ethanone, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-chloro- (9CI)

CAS Number:

750611-31-5

Molecular Formula:

C10H12ClNO2

Molecular Weight:

213.6608

MDL Number:

MFCD03656353

IUPAC Name:

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-chloroethanone

InChI:

InChI=1S/C10H12ClNO2/c1-5-9(7(3)13)6(2)12-10(5)8(14)4-11/h12H,4H2,1-3H3

InChI Key:

FAWXPXHWQQPVFU-UHFFFAOYSA-N

SMILES:

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

Complexity:

255

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.661g/mol

Monoisotopic Mass:

213.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8