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14173-81-0 | 5,8-Quinolinedione, 6-amino-7-bromo-
CAS No: 14173-81-0 Catalog No: AG001GXX MDL No:
Product Description
Catalog Number:
AG001GXX
Chemical Name:
5,8-Quinolinedione, 6-amino-7-bromo-
CAS Number:
14173-81-0
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
IUPAC Name:
6-amino-7-bromoquinoline-5,8-dione
InChI:
InChI=1S/C9H5BrN2O2/c10-5-6(11)8(13)4-2-1-3-12-7(4)9(5)14/h1-3H,11H2
InChI Key:
XZBBOHUCBTXJQY-UHFFFAOYSA-N
SMILES:
NC1=C(Br)C(=O)c2c(C1=O)cccn2
NSC Number:
105808
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.055g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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