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133590-21-3 | 3-Bromo-4-chloro-7-diethylamino-chromen-2-one
CAS No: 133590-21-3 Catalog No: AG01FAAM MDL No:
Product Description
Catalog Number:
AG01FAAM
Chemical Name:
3-Bromo-4-chloro-7-diethylamino-chromen-2-one
CAS Number:
133590-21-3
Molecular Formula:
C13H13BrClNO2
Molecular Weight:
330.6048
IUPAC Name:
3-bromo-4-chloro-7-(diethylamino)chromen-2-one
InChI:
InChI=1S/C13H13BrClNO2/c1-3-16(4-2)8-5-6-9-10(7-8)18-13(17)11(14)12(9)15/h5-7H,3-4H2,1-2H3
InChI Key:
QYVHPITUKBNDGT-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2Cl)Br)CC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.982g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.606g/mol
Monoisotopic Mass:
328.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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