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15062-34-7 | Phenol, 4-bromo-5-methyl-2-(1-methylethyl)-
CAS No: 15062-34-7 Catalog No: AG001MSL MDL No:MFCD01679741
Product Description
Catalog Number:
AG001MSL
Chemical Name:
Phenol, 4-bromo-5-methyl-2-(1-methylethyl)-
CAS Number:
15062-34-7
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD01679741
IUPAC Name:
4-bromo-5-methyl-2-propan-2-ylphenol
InChI:
InChI=1S/C10H13BrO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
InChI Key:
ZSIQWWYOUYOECH-UHFFFAOYSA-N
SMILES:
CC(c1cc(Br)c(cc1O)C)C
Properties
Complexity:
147
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:
4
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