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Home > Nitro Compounds > 99758-70-0
99758-70-0 | Benzene, 1,4-bis(1,1-dimethylethyl)-2-methoxy-5-nitro-
CAS No: 99758-70-0 Catalog No: AG003X13 MDL No:
Product Description
Catalog Number:
AG003X13
Chemical Name:
Benzene, 1,4-bis(1,1-dimethylethyl)-2-methoxy-5-nitro-
CAS Number:
99758-70-0
Molecular Formula:
C15H23NO3
Molecular Weight:
265.3480
IUPAC Name:
1,4-ditert-butyl-2-methoxy-5-nitrobenzene
InChI:
InChI=1S/C15H23NO3/c1-14(2,3)10-9-13(19-7)11(15(4,5)6)8-12(10)16(17)18/h8-9H,1-7H3
InChI Key:
ZCFLLYOCWUYSIR-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1C(C)(C)C)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.353g/mol
Monoisotopic Mass:
265.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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