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2040-89-3 | Phenol, 2-bromo-6-fluoro-
CAS No: 2040-89-3 Catalog No: AG002993 MDL No:MFCD03788533
Product Description
Catalog Number:
AG002993
Chemical Name:
Phenol, 2-bromo-6-fluoro-
CAS Number:
2040-89-3
Molecular Formula:
C6H4BrFO
Molecular Weight:
190.9978
MDL Number:
MFCD03788533
IUPAC Name:
2-bromo-6-fluorophenol
InChI:
InChI=1S/C6H4BrFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChI Key:
DNFDDDWPODPCHU-UHFFFAOYSA-N
SMILES:
Oc1c(F)cccc1Br
EC Number:
807-795-0
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.943g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.999g/mol
Monoisotopic Mass:
189.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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