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Home > Nitro Compounds > 71850-79-8
71850-79-8 | 1-tert-Butyl-2-methoxy-4-methyl-5-nitrobenzene
CAS No: 71850-79-8 Catalog No: AG00FVE6 MDL No:
Product Description
Catalog Number:
AG00FVE6
Chemical Name:
1-tert-Butyl-2-methoxy-4-methyl-5-nitrobenzene
CAS Number:
71850-79-8
IUPAC Name:
1-tert-butyl-2-methoxy-4-methyl-5-nitrobenzene
InChI:
InChI=1S/C12H17NO3/c1-8-6-11(16-5)9(12(2,3)4)7-10(8)13(14)15/h6-7H,1-5H3
InChI Key:
XZZSGPYXQXQYNL-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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