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Home > Nitro Compounds > 77055-30-2
77055-30-2 | 4-tert-Butyl-2,6-dinitroanisole
CAS No: 77055-30-2 Catalog No: AG003M1E MDL No:MFCD00185596
Product Description
Catalog Number:
AG003M1E
Chemical Name:
4-tert-Butyl-2,6-dinitroanisole
CAS Number:
77055-30-2
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
MDL Number:
MFCD00185596
IUPAC Name:
5-tert-butyl-2-methoxy-1,3-dinitrobenzene
InChI:
InChI=1S/C11H14N2O5/c1-11(2,3)7-5-8(12(14)15)10(18-4)9(6-7)13(16)17/h5-6H,1-4H3
InChI Key:
OPKICKIJGJZVTG-UHFFFAOYSA-N
SMILES:
COc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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