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Home > Nitro Compounds > 98440-51-8
98440-51-8 | 1-[5-(morpholin-4-yl)-2-nitrophenyl]ethan-1-one
CAS No: 98440-51-8 Catalog No: AG00ITQ2 MDL No:MFCD03787323
Product Description
Catalog Number:
AG00ITQ2
Chemical Name:
1-[5-(morpholin-4-yl)-2-nitrophenyl]ethan-1-one
CAS Number:
98440-51-8
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD03787323
IUPAC Name:
1-(5-morpholin-4-yl-2-nitrophenyl)ethanone
InChI:
InChI=1S/C12H14N2O4/c1-9(15)11-8-10(2-3-12(11)14(16)17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3
InChI Key:
QDBHDRNQTORPRV-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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