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Home > Nitro Compounds > 20532-45-0
20532-45-0 | Benzo[b]thiophene-2-carboxamide, N,N-dimethyl-5-nitro-
CAS No: 20532-45-0 Catalog No: AG00I3VV MDL No:MFCD02082944
Product Description
Catalog Number:
AG00I3VV
Chemical Name:
Benzo[b]thiophene-2-carboxamide, N,N-dimethyl-5-nitro-
CAS Number:
20532-45-0
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
MDL Number:
MFCD02082944
IUPAC Name:
N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C11H10N2O3S/c1-12(2)11(14)10-6-7-5-8(13(15)16)3-4-9(7)17-10/h3-6H,1-2H3
InChI Key:
ZUEMKGSVVSOTDZ-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-])C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.272g/mol
Monoisotopic Mass:
250.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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