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Home > Nitro Compounds > 634172-65-9
634172-65-9 | (7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-p-tolyl-methanone
CAS No: 634172-65-9 Catalog No: AG01EWQT MDL No:
Product Description
Catalog Number:
AG01EWQT
Chemical Name:
(7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-p-tolyl-methanone
CAS Number:
634172-65-9
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
(4-methylphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
InChI:
InChI=1S/C16H13NO5/c1-10-2-4-11(5-3-10)16(18)12-8-14-15(22-7-6-21-14)9-13(12)17(19)20/h2-5,8-9H,6-7H2,1H3
InChI Key:
VZVMYCSPUZTLRD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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