Name: Name:Ethanone, 2-chloro-1-[2,5-dimethyl-1-(2-propenyl)-1H-pyrrol-3-yl]- (9CI)
Brand: Angene
SKU: AG00ECNX
Rating: 90 (10 reviews)

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

CAS No.:

568543-78-2

Catalog Number:

AG00ECNX

Molecular Formula:

C11H14ClNO

Molecular Weight:

211.6880

Catalog Number:

AG00ECNX

Chemical Name:

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

CAS Number:

568543-78-2

Molecular Formula:

C11H14ClNO

Molecular Weight:

211.6880

MDL Number:

MFCD03964706

IUPAC Name:

2-chloro-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

InChI:

InChI=1S/C11H14ClNO/c1-4-5-13-8(2)6-10(9(13)3)11(14)7-12/h4,6H,1,5,7H2,2-3H3

InChI Key:

OPQPMUYFVRBHLW-UHFFFAOYSA-N

SMILES:

C=CCn1c(C)cc(c1C)C(=O)CCl

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.689g/mol

Monoisotopic Mass:

211.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5