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113501-99-8 | Benzenamine, 2-nitro-5-propoxy-
CAS No: 113501-99-8 Catalog No: AG0008T2 MDL No:
Product Description
Catalog Number:
AG0008T2
Chemical Name:
Benzenamine, 2-nitro-5-propoxy-
CAS Number:
113501-99-8
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
2-nitro-5-propoxyaniline
InChI:
InChI=1S/C9H12N2O3/c1-2-5-14-7-3-4-9(11(12)13)8(10)6-7/h3-4,6H,2,5,10H2,1H3
InChI Key:
ZUSYPWKBRJWZIA-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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