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303137-77-1 | Butanoic acid, 4-[(3-chloro-4-fluorophenyl)amino]-4-oxo-
CAS No: 303137-77-1 Catalog No: AG002ZNN MDL No:MFCD01344430
Product Description
Catalog Number:
AG002ZNN
Chemical Name:
Butanoic acid, 4-[(3-chloro-4-fluorophenyl)amino]-4-oxo-
CAS Number:
303137-77-1
Molecular Formula:
C10H9ClFNO3
Molecular Weight:
245.6348
MDL Number:
MFCD01344430
IUPAC Name:
4-(3-chloro-4-fluoroanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9ClFNO3/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChI Key:
AUVBTHXWDPUJMI-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)F)CCC(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.634g/mol
Monoisotopic Mass:
245.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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