Name: Name:(Z)-4-((3,4-Dichlorophenyl)amino)-4-oxobut-2-enoic acid
Brand: Angene
SKU: AG003SAA
Rating: 90 (10 reviews)

(Z)-4-((3,4-Dichlorophenyl)amino)-4-oxobut-2-enoic acid

CAS No.:

21395-61-9

Catalog Number:

AG003SAA

Molecular Formula:

C10H7Cl2NO3

Molecular Weight:

260.0735

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Product Description

Catalog Number:

AG003SAA

Chemical Name:

(Z)-4-((3,4-Dichlorophenyl)amino)-4-oxobut-2-enoic acid

CAS Number:

21395-61-9

Molecular Formula:

C10H7Cl2NO3

Molecular Weight:

260.0735

MDL Number:

MFCD00020466

IUPAC Name:

(Z)-4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid

InChI:

InChI=1S/C10H7Cl2NO3/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-

InChI Key:

YMYKNYVBUCMJOG-ARJAWSKDSA-N

SMILES:

O=C(Nc1ccc(c(c1)Cl)Cl)/C=C\C(=O)O

Properties

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.07g/mol

Monoisotopic Mass:

258.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore.	Bioorganic & medicinal chemistry letters 20100301