Name: Name:2-Butenoic acid, 4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)-
Brand: Angene
SKU: AG002397
Rating: 90 (10 reviews)

2-Butenoic acid, 4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)-

CAS No.:

18196-80-0

Catalog Number:

AG002397

Molecular Formula:

C10H8ClNO3

Molecular Weight:

225.6284

Catalog Number:

AG002397

Chemical Name:

2-Butenoic acid, 4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)-

CAS Number:

18196-80-0

Molecular Formula:

C10H8ClNO3

Molecular Weight:

225.6284

MDL Number:

MFCD00020464

IUPAC Name:

(Z)-4-(3-chloroanilino)-4-oxobut-2-enoic acid

InChI:

InChI=1S/C10H8ClNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/b5-4-

InChI Key:

VGCOUGYIWJRLKT-PLNGDYQASA-N

SMILES:

O=C(Nc1cccc(c1)Cl)/C=C\C(=O)O

NSC Number:

62644

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.628g/mol

Monoisotopic Mass:

225.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9