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Home > Nitro Compounds > 27708-36-7
27708-36-7 | Phenol, dimethyl-2,4-dinitro- (9CI)
CAS No: 27708-36-7 Catalog No: AG002UJQ MDL No:
Product Description
Catalog Number:
AG002UJQ
Chemical Name:
Phenol, dimethyl-2,4-dinitro- (9CI)
CAS Number:
27708-36-7
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
IUPAC Name:
3,5-dimethyl-2,4-dinitrophenol
InChI:
InChI=1S/C8H8N2O5/c1-4-3-6(11)8(10(14)15)5(2)7(4)9(12)13/h3,11H,1-2H3
InChI Key:
ROJUNUZENWQTJE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cc(c(c1C)[N+](=O)[O-])O
NSC Number:
408699
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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