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102405-54-9 | Benzoxazole, 5-chloro-2-(1,1-dimethylethyl)-6-nitro-
CAS No: 102405-54-9 Catalog No: AG0007E1 MDL No:
Product Description
Catalog Number:
AG0007E1
Chemical Name:
Benzoxazole, 5-chloro-2-(1,1-dimethylethyl)-6-nitro-
CAS Number:
102405-54-9
Molecular Formula:
C11H11ClN2O3
Molecular Weight:
254.6696
IUPAC Name:
2-tert-butyl-5-chloro-6-nitro-1,3-benzoxazole
InChI:
InChI=1S/C11H11ClN2O3/c1-11(2,3)10-13-7-4-6(12)8(14(15)16)5-9(7)17-10/h4-5H,1-3H3
InChI Key:
UQNSVSRPHNOKAY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2oc(nc2cc1Cl)C(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.67g/mol
Monoisotopic Mass:
254.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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