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101-59-7 | Benzenamine, 4-[(4-nitrophenyl)thio]-
CAS No: 101-59-7 Catalog No: AG0003G4 MDL No:MFCD00007881
Product Description
Catalog Number:
AG0003G4
Chemical Name:
Benzenamine, 4-[(4-nitrophenyl)thio]-
CAS Number:
101-59-7
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
MDL Number:
MFCD00007881
IUPAC Name:
4-(4-nitrophenyl)sulfanylaniline
InChI:
InChI=1S/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
InChI Key:
ZBPKGHOGUVVDLF-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-957-1
UNII:
XZ6Y8J91OP
NSC Number:
23568
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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