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Home > Nitro Compounds > 478248-45-2
478248-45-2 | 5-nitro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide
CAS No: 478248-45-2 Catalog No: AG00IRFZ MDL No:MFCD02082946
Product Description
Catalog Number:
AG00IRFZ
Chemical Name:
5-nitro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide
CAS Number:
478248-45-2
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
MDL Number:
MFCD02082946
IUPAC Name:
5-nitro-N-propan-2-yl-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C12H12N2O3S/c1-7(2)13-12(15)11-6-8-5-9(14(16)17)3-4-10(8)18-11/h3-7H,1-2H3,(H,13,15)
InChI Key:
KWCOAHYOUHLNBF-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-])C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^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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