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Home > Nitro Compounds > 857000-67-0
857000-67-0 | 1-tert-Butyl-3-methyl-5-nitrobenzene
CAS No: 857000-67-0 Catalog No: AG00IDQY MDL No:
Product Description
Catalog Number:
AG00IDQY
Chemical Name:
1-tert-Butyl-3-methyl-5-nitrobenzene
CAS Number:
857000-67-0
IUPAC Name:
1-tert-butyl-3-methyl-5-nitrobenzene
InChI:
InChI=1S/C11H15NO2/c1-8-5-9(11(2,3)4)7-10(6-8)12(13)14/h5-7H,1-4H3
InChI Key:
GQPJZYSCDJLTIA-UHFFFAOYSA-N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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