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Home > Nitro Compounds > 361167-85-3
361167-85-3 | 2,6-dimethyl-4-(5-nitro-1-benzothiophene-2-carbonyl)morpholine
CAS No: 361167-85-3 Catalog No: AG00IN4N MDL No:MFCD02082844
Product Description
Catalog Number:
AG00IN4N
Chemical Name:
2,6-dimethyl-4-(5-nitro-1-benzothiophene-2-carbonyl)morpholine
CAS Number:
361167-85-3
Molecular Formula:
C15H16N2O4S
Molecular Weight:
320.3635
MDL Number:
MFCD02082844
IUPAC Name:
(2,6-dimethylmorpholin-4-yl)-(5-nitro-1-benzothiophen-2-yl)methanone
InChI:
InChI=1S/C15H16N2O4S/c1-9-7-16(8-10(2)21-9)15(18)14-6-11-5-12(17(19)20)3-4-13(11)22-14/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
IYYZQBYMUSUVPU-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)C(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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