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18966-62-6 | Phenol, 4-bromo-2-pentyl-
CAS No: 18966-62-6 Catalog No: AG002DV0 MDL No:
Product Description
Catalog Number:
AG002DV0
Chemical Name:
Phenol, 4-bromo-2-pentyl-
CAS Number:
18966-62-6
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
4-bromo-2-pentylphenol
InChI:
InChI=1S/C11H15BrO/c1-2-3-4-5-9-8-10(12)6-7-11(9)13/h6-8,13H,2-5H2,1H3
InChI Key:
SEFNGPGKDNBLTE-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(Br)ccc1O
Properties
Complexity:
138
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:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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