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Home > Nitro Compounds > 4195-17-9
4195-17-9 | 4-Nitrophenyl pivalate
CAS No: 4195-17-9 Catalog No: AG003LW5 MDL No:
Product Description
Catalog Number:
AG003LW5
Chemical Name:
4-Nitrophenyl pivalate
CAS Number:
4195-17-9
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
(4-nitrophenyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3
InChI Key:
QADVJDGFQGNSIF-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
224-076-1
NSC Number:
254048
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Heat inhibited reactions. | Chemical communications (Cambridge, England) 20030121 |
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