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18980-21-7 | Phenol, 4-bromo-2-ethyl-
CAS No: 18980-21-7 Catalog No: AG002DYS MDL No:MFCD00055489
Product Description
Catalog Number:
AG002DYS
Chemical Name:
Phenol, 4-bromo-2-ethyl-
CAS Number:
18980-21-7
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
MDL Number:
MFCD00055489
IUPAC Name:
4-bromo-2-ethylphenol
InChI:
InChI=1S/C8H9BrO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
InChI Key:
MAAADQMBQYSOOG-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)ccc1O
EC Number:
242-718-9
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:
2.8
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