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20942-68-1 | Phenol, 2-bromo-5-(1,1-dimethylethyl)-
CAS No: 20942-68-1 Catalog No: AG002K95 MDL No:
Product Description
Catalog Number:
AG002K95
Chemical Name:
Phenol, 2-bromo-5-(1,1-dimethylethyl)-
CAS Number:
20942-68-1
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
2-bromo-5-tert-butylphenol
InChI:
InChI=1S/C10H13BrO/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,12H,1-3H3
InChI Key:
KSYHPGHAMBDJLG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1O)C(C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.117g/mol
Monoisotopic Mass:
228.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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