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364600-10-2 | 3-Acetyl-6-bromo-2-methyl-quinoline-4-carboxylic acid
CAS No: 364600-10-2 Catalog No: AG01EVPN MDL No:
Product Description
Catalog Number:
AG01EVPN
Chemical Name:
3-Acetyl-6-bromo-2-methyl-quinoline-4-carboxylic acid
CAS Number:
364600-10-2
Molecular Formula:
C13H10BrNO3
Molecular Weight:
308.1274
IUPAC Name:
3-acetyl-6-bromo-2-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C13H10BrNO3/c1-6-11(7(2)16)12(13(17)18)9-5-8(14)3-4-10(9)15-6/h3-5H,1-2H3,(H,17,18)
InChI Key:
NYMTZNXTKIERCU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C(=O)O)c(c(n2)C)C(=O)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.984g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.131g/mol
Monoisotopic Mass:
306.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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