Name: Name:ethyl 3-[(4-chloro-2-fluorophenyl)amino]-2-cyanoprop-2-enoate
Brand: Angene
SKU: AG019W7E
Rating: 90 (10 reviews)

ethyl 3-[(4-chloro-2-fluorophenyl)amino]-2-cyanoprop-2-enoate

CAS No.:

934117-51-8

Catalog Number:

AG019W7E

Molecular Formula:

C12H10ClFN2O2

Molecular Weight:

268.6714

Catalog Number:

AG019W7E

Chemical Name:

ethyl 3-[(4-chloro-2-fluorophenyl)amino]-2-cyanoprop-2-enoate

CAS Number:

934117-51-8

Molecular Formula:

C12H10ClFN2O2

Molecular Weight:

268.6714

MDL Number:

MFCD13516787

IUPAC Name:

ethyl 3-(4-chloro-2-fluoroanilino)-2-cyanoprop-2-enoate

InChI:

InChI=1S/C12H10ClFN2O2/c1-2-18-12(17)8(6-15)7-16-11-4-3-9(13)5-10(11)14/h3-5,7,16H,2H2,1H3

InChI Key:

ZSEBDGHEJRCHGT-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=CNc1ccc(cc1F)Cl)C#N

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.672g/mol

Monoisotopic Mass:

268.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5