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1516-93-4 | Phenol, 2-bromo-6-(1,1-dimethylethyl)-4-methyl-
CAS No: 1516-93-4 Catalog No: AG001NGK MDL No:MFCD00233129
Product Description
Catalog Number:
AG001NGK
Chemical Name:
Phenol, 2-bromo-6-(1,1-dimethylethyl)-4-methyl-
CAS Number:
1516-93-4
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
MDL Number:
MFCD00233129
IUPAC Name:
2-bromo-6-tert-butyl-4-methylphenol
InChI:
InChI=1S/C11H15BrO/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,13H,1-4H3
InChI Key:
AKUQXFHQPACGKR-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)C(C)(C)C)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.144g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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