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Home > Nitro Compounds > 477847-38-4
477847-38-4 | 5-nitro-N-propyl-1-benzothiophene-2-carboxamide
CAS No: 477847-38-4 Catalog No: AG00IN6P MDL No:MFCD02082841
Product Description
Catalog Number:
AG00IN6P
Chemical Name:
5-nitro-N-propyl-1-benzothiophene-2-carboxamide
CAS Number:
477847-38-4
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
MDL Number:
MFCD02082841
IUPAC Name:
5-nitro-N-propyl-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C12H12N2O3S/c1-2-5-13-12(15)11-7-8-6-9(14(16)17)3-4-10(8)18-11/h3-4,6-7H,2,5H2,1H3,(H,13,15)
InChI Key:
QFTLOQFOQDDHNP-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
332
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:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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