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Home > Nitro Compounds > 32278-17-4
32278-17-4 | 3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one
CAS No: 32278-17-4 Catalog No: AG00IQ3C MDL No:MFCD02083109
Product Description
Catalog Number:
AG00IQ3C
Chemical Name:
3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one
CAS Number:
32278-17-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD02083109
IUPAC Name:
3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one
InChI:
InChI=1S/C12H15NO4/c1-12(2,3)11(14)8-17-10-7-5-4-6-9(10)13(15)16/h4-7H,8H2,1-3H3
InChI Key:
IYGWUAFDCYXSON-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)COc1ccccc1[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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