Name: Name:Ethanone, 2-chloro-1-[1-(2-methoxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- (9CI)
Brand: Angene
SKU: AG00DTB0
Rating: 90 (10 reviews)

Ethanone, 2-chloro-1-[1-(2-methoxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- (9CI)

CAS No.:

554405-86-6

Catalog Number:

AG00DTB0

Molecular Formula:

C12H18ClNO2

Molecular Weight:

243.7298

Catalog Number:

AG00DTB0

Chemical Name:

Ethanone, 2-chloro-1-[1-(2-methoxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- (9CI)

CAS Number:

554405-86-6

Molecular Formula:

C12H18ClNO2

Molecular Weight:

243.7298

MDL Number:

MFCD03968065

IUPAC Name:

2-chloro-1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]ethanone

InChI:

InChI=1S/C12H18ClNO2/c1-8-5-11(12(15)6-13)10(3)14(8)9(2)7-16-4/h5,9H,6-7H2,1-4H3

InChI Key:

XGSDKZPTNPJMEY-UHFFFAOYSA-N

SMILES:

COCC(n1c(C)cc(c1C)C(=O)CCl)C

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.731g/mol

Monoisotopic Mass:

243.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: