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Home > Nitro Compounds > 303988-27-4
303988-27-4 | 4-[3-nitro-4-(phenylsulfanyl)benzoyl]morpholine
CAS No: 303988-27-4 Catalog No: AG00INH6 MDL No:MFCD01569109
Product Description
Catalog Number:
AG00INH6
Chemical Name:
4-[3-nitro-4-(phenylsulfanyl)benzoyl]morpholine
CAS Number:
303988-27-4
Molecular Formula:
C17H16N2O4S
Molecular Weight:
344.3849
MDL Number:
MFCD01569109
IUPAC Name:
morpholin-4-yl-(3-nitro-4-phenylsulfanylphenyl)methanone
InChI:
InChI=1S/C17H16N2O4S/c20-17(18-8-10-23-11-9-18)13-6-7-16(15(12-13)19(21)22)24-14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChI Key:
SQYAMQUPWNNDQC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])Sc1ccccc1)N1CCOCC1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.385g/mol
Monoisotopic Mass:
344.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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