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Home > Nitro Compounds > 866133-87-1
866133-87-1 | 2-[2-(morpholin-4-yl)ethyl]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS No: 866133-87-1 Catalog No: AG00IS06 MDL No:MFCD03848684
Product Description
Catalog Number:
AG00IS06
Chemical Name:
2-[2-(morpholin-4-yl)ethyl]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS Number:
866133-87-1
Molecular Formula:
C14H17N3O5
Molecular Weight:
307.3019
MDL Number:
MFCD03848684
IUPAC Name:
2-(2-morpholin-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C14H17N3O5/c18-14-12(3-4-16-5-7-21-8-6-16)22-13-9-10(17(19)20)1-2-11(13)15-14/h1-2,9,12H,3-8H2,(H,15,18)
InChI Key:
RTIGEQWOXHPYPG-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2OC1CCN1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.306g/mol
Monoisotopic Mass:
307.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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