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Home > Nitro Compounds > 1887-69-0
1887-69-0 | Phenol, 2,6-dimethyl-3-nitro-4-[(2,4,6-trimethyl-3-nitrophenyl)methyl]-
CAS No: 1887-69-0 Catalog No: AG002H64 MDL No:
Product Description
Catalog Number:
AG002H64
Chemical Name:
Phenol, 2,6-dimethyl-3-nitro-4-[(2,4,6-trimethyl-3-nitrophenyl)methyl]-
CAS Number:
1887-69-0
Molecular Formula:
C18H20N2O5
Molecular Weight:
344.3618
IUPAC Name:
2,6-dimethyl-3-nitro-4-[(2,4,6-trimethyl-3-nitrophenyl)methyl]phenol
InChI:
InChI=1S/C18H20N2O5/c1-9-6-10(2)16(19(22)23)12(4)15(9)8-14-7-11(3)18(21)13(5)17(14)20(24)25/h6-7,21H,8H2,1-5H3
InChI Key:
DDIHOTWRDMQMKT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1Cc1cc(C)c(c(c1[N+](=O)[O-])C)O)C)[N+](=O)[O-]
NSC Number:
98502
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.367g/mol
Monoisotopic Mass:
344.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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