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2-Fluoro-5-methoxybiphenyl

CAT: 0127-PC1023332-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1023332-01Size:250 mg
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CAS Number
1214331-90-4
MDL Number
MFCD14701853
Purity
95%
Smiles
C1 (ccc (c (c1) c1ccccc1) F) OC

Chemical Information

2-Fluoro-5-methoxybiphenyl
CAS Number1214331-90-4
PubChem CID46314840
IUPAC Name1-fluoro-4-methoxy-2-phenylbenzene
Molecular FormulaC13H11FO
Molecular Weight202.22
XLogP4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity189
SMILES
COC1=CC(=C(C=C1)F)C2=CC=CC=C2
InChI
InChI=1S/C13H11FO/c1-15-11-7-8-13(14)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
RIJVLRWHELCACQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-5-methoxybiphenyl
CAS: 1214331-90-4
CID: 46314840
Formula: C13H11FO
MW: 202.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.22
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass202.079393132
Monoisotopic Mass202.079393132
Topological Polar Surface Area9.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes