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304666-33-9 | Cyclopentanecarboxylic acid, 3-[[(4-fluorophenyl)amino]carbonyl]-1,2,2-trimethyl-
CAS No: 304666-33-9 Catalog No: AG003078 MDL No:MFCD00554930
Product Description
Catalog Number:
AG003078
Chemical Name:
Cyclopentanecarboxylic acid, 3-[[(4-fluorophenyl)amino]carbonyl]-1,2,2-trimethyl-
CAS Number:
304666-33-9
Molecular Formula:
C16H20FNO3
Molecular Weight:
293.3333
MDL Number:
MFCD00554930
IUPAC Name:
3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C16H20FNO3/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-11-6-4-10(17)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChI Key:
MSEIWOOIEJSTAK-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(C1(C)C)(C)C(=O)O)Nc1ccc(cc1)F
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.338g/mol
Monoisotopic Mass:
293.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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