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20168-18-7 | 2,4,6-Cycloheptatrien-1-one, 2,4,7-tribromo-5-hydroxy-
CAS No: 20168-18-7 Catalog No: AG002DKR MDL No:
Product Description
Catalog Number:
AG002DKR
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2,4,7-tribromo-5-hydroxy-
CAS Number:
20168-18-7
Molecular Formula:
C7H3Br3O2
Molecular Weight:
358.8095
IUPAC Name:
2,4,6-tribromo-5-hydroxycyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C7H3Br3O2/c8-3-1-4(9)7(12)5(10)2-6(3)11/h1-2,12H
InChI Key:
CVYAQNAYPPNEDZ-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(=O)c(cc1O)Br
NSC Number:
24693
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.766g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.811g/mol
Monoisotopic Mass:
355.768g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
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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