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145510-85-6 | 1H-Pyrrole-3-acetic acid, 2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-5-oxo-1-phenyl-
CAS No: 145510-85-6 Catalog No: AG001D4Z MDL No:
Product Description
Catalog Number:
AG001D4Z
Chemical Name:
1H-Pyrrole-3-acetic acid, 2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-5-oxo-1-phenyl-
CAS Number:
145510-85-6
Molecular Formula:
C18H14BrNO4
Molecular Weight:
388.2121
IUPAC Name:
2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
InChI:
InChI=1S/C18H14BrNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,16,23H,10H2,(H,21,22)
InChI Key:
IKQFQTHASNTFMG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=C(O)C(=O)N(C1c1ccc(cc1)Br)c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.011g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.217g/mol
Monoisotopic Mass:
387.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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