200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 99758-67-5
99758-67-5 | Benzene, 1,5-bis(1,1-dimethylethyl)-2-methoxy-4-methyl-3-nitro-
CAS No: 99758-67-5 Catalog No: AG003WHC MDL No:
Product Description
Catalog Number:
AG003WHC
Chemical Name:
Benzene, 1,5-bis(1,1-dimethylethyl)-2-methoxy-4-methyl-3-nitro-
CAS Number:
99758-67-5
Molecular Formula:
C16H25NO3
Molecular Weight:
279.3746
IUPAC Name:
1,5-ditert-butyl-2-methoxy-4-methyl-3-nitrobenzene
InChI:
InChI=1S/C16H25NO3/c1-10-11(15(2,3)4)9-12(16(5,6)7)14(20-8)13(10)17(18)19/h9H,1-8H3
InChI Key:
QGCWOCXOBFAJNM-UHFFFAOYSA-N
SMILES:
COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.38g/mol
Monoisotopic Mass:
279.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.