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24885-48-1 | Phenol, 2-bromo-6-ethyl-
CAS No: 24885-48-1 Catalog No: AG002PQ5 MDL No:
Product Description
Catalog Number:
AG002PQ5
Chemical Name:
Phenol, 2-bromo-6-ethyl-
CAS Number:
24885-48-1
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
IUPAC Name:
2-bromo-6-ethylphenol
InChI:
InChI=1S/C8H9BrO/c1-2-6-4-3-5-7(9)8(6)10/h3-5,10H,2H2,1H3
InChI Key:
KTIRRDOBTNZKNL-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1O)Br
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.063g/mol
Monoisotopic Mass:
199.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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