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Home > Nitro Compounds > 873055-57-3
873055-57-3 | Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-
CAS No: 873055-57-3 Catalog No: AG00GZPO MDL No:MFCD11052606
Product Description
Catalog Number:
AG00GZPO
Chemical Name:
Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-
CAS Number:
873055-57-3
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD11052606
IUPAC Name:
2,4-ditert-butyl-5-nitrophenol
InChI:
InChI=1S/C14H21NO3/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15(17)18/h7-8,16H,1-6H3
InChI Key:
VIWYWRSFQRIVPI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(O)c(cc1C(C)(C)C)C(C)(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:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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