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Home > Nitro Compounds > 99758-75-5
99758-75-5 | Benzene, 1,4-bis(1,1-dimethylethyl)-2-methoxy-3,5-dinitro-
CAS No: 99758-75-5 Catalog No: AG003WH9 MDL No:
Product Description
Catalog Number:
AG003WH9
Chemical Name:
Benzene, 1,4-bis(1,1-dimethylethyl)-2-methoxy-3,5-dinitro-
CAS Number:
99758-75-5
Molecular Formula:
C15H22N2O5
Molecular Weight:
310.3456
IUPAC Name:
1,4-ditert-butyl-2-methoxy-3,5-dinitrobenzene
InChI:
InChI=1S/C15H22N2O5/c1-14(2,3)9-8-10(16(18)19)11(15(4,5)6)12(17(20)21)13(9)22-7/h8H,1-7H3
InChI Key:
FGMALKWVCMHTDB-UHFFFAOYSA-N
SMILES:
COc1c([N+](=O)[O-])c(c(cc1C(C)(C)C)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.35g/mol
Monoisotopic Mass:
310.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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