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20834-61-1 | Phenol, 2-bromo-4,6-bis(1,1-dimethylethyl)-
CAS No: 20834-61-1 Catalog No: AG002JNB MDL No:MFCD00051597
Product Description
Catalog Number:
AG002JNB
Chemical Name:
Phenol, 2-bromo-4,6-bis(1,1-dimethylethyl)-
CAS Number:
20834-61-1
Molecular Formula:
C14H21BrO
Molecular Weight:
285.2199
MDL Number:
MFCD00051597
IUPAC Name:
2-bromo-4,6-ditert-butylphenol
InChI:
InChI=1S/C14H21BrO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3
InChI Key:
DIWZVAHZEOFSLS-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.225g/mol
Monoisotopic Mass:
284.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Cubane and step-form structures of dilithium bis(aryloxy)phosphines. | Dalton transactions (Cambridge, England : 2003) 20080214 |
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