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Home > Nitro Compounds > 4097-50-1
4097-50-1 | 4-Tert-Anyl-2,6-Dinitrophenol
CAS No: 4097-50-1 Catalog No: AG00378U MDL No:MFCD07787281
Product Description
Catalog Number:
AG00378U
Chemical Name:
4-Tert-Anyl-2,6-Dinitrophenol
CAS Number:
4097-50-1
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
MDL Number:
MFCD07787281
IUPAC Name:
4-(2-methylbutan-2-yl)-2,6-dinitrophenol
InChI:
InChI=1S/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3
InChI Key:
BTFCDCNHRPIDHR-UHFFFAOYSA-N
SMILES:
CCC(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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