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Home > Nitro Compounds > 164526-10-7
164526-10-7 | (7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-phenyl-methanone
CAS No: 164526-10-7 Catalog No: AG01EUAT MDL No:
Product Description
Catalog Number:
AG01EUAT
Chemical Name:
(7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-phenyl-methanone
CAS Number:
164526-10-7
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-phenylmethanone
InChI:
InChI=1S/C15H11NO5/c17-15(10-4-2-1-3-5-10)11-8-13-14(21-7-6-20-13)9-12(11)16(18)19/h1-5,8-9H,6-7H2
InChI Key:
CSEPBFMGIZWTGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCOc2cc1C(=O)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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