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Home > Nitro Compounds > 866157-52-0
866157-52-0 | N-(butan-2-yl)-4-methyl-2,6-dinitroaniline
CAS No: 866157-52-0 Catalog No: AG00IV3A MDL No:MFCD05670006
Product Description
Catalog Number:
AG00IV3A
Chemical Name:
N-(butan-2-yl)-4-methyl-2,6-dinitroaniline
CAS Number:
866157-52-0
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
MDL Number:
MFCD05670006
IUPAC Name:
N-butan-2-yl-4-methyl-2,6-dinitroaniline
InChI:
InChI=1S/C11H15N3O4/c1-4-8(3)12-11-9(13(15)16)5-7(2)6-10(11)14(17)18/h5-6,8,12H,4H2,1-3H3
InChI Key:
FRTZHUYOLKQDSU-UHFFFAOYSA-N
SMILES:
CCC(Nc1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-])C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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