Name: Name:4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid
Brand: Angene
SKU: AG006P7Y
Rating: 90 (10 reviews)

4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid

CAS No.:

904810-52-2

Catalog Number:

AG006P7Y

Molecular Formula:

C10H9ClFNO3

Molecular Weight:

245.6348

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United States

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Catalog Number:

AG006P7Y

Chemical Name:

4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid

CAS Number:

904810-52-2

Molecular Formula:

C10H9ClFNO3

Molecular Weight:

245.6348

MDL Number:

MFCD06067198

IUPAC Name:

4-(4-chloro-2-fluoroanilino)-4-oxobutanoic acid

InChI:

InChI=1S/C10H9ClFNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)

InChI Key:

IAXPBKWZXXEWQX-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccc(cc1F)Cl)CCC(=O)O

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.634g/mol

Monoisotopic Mass:

245.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3