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16606-29-4 | Phenol, 4-bromo-3-(1-methylethyl)-
CAS No: 16606-29-4 Catalog No: AG001WGS MDL No:MFCD15527199
Product Description
Catalog Number:
AG001WGS
Chemical Name:
Phenol, 4-bromo-3-(1-methylethyl)-
CAS Number:
16606-29-4
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD15527199
IUPAC Name:
4-bromo-3-propan-2-ylphenol
InChI:
InChI=1S/C9H11BrO/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6,11H,1-2H3
InChI Key:
QVCXGNUBIRQHII-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(C)C)Br
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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