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(2-chlorophenyl) (3,5-difluorophenyl) methanol

CAT: 0127-PC1010232-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1010232-01Size:250 mg
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CAS Number
1305214-38-3
Purity
95%
Smiles
C1cccc (c1Cl) C (c1cc (cc (c1) F) F) O

Chemical Information

(2-Chlorophenyl)(3,5-difluorophenyl)methanol
CAS Number1305214-38-3
PubChem CID61649114
IUPAC Name(2-chlorophenyl)-(3,5-difluorophenyl)methanol
Molecular FormulaC13H9ClF2O
Molecular Weight254.66
XLogP3.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity242
SMILES
C1=CC=C(C(=C1)C(C2=CC(=CC(=C2)F)F)O)Cl
InChI
InChI=1S/C13H9ClF2O/c14-12-4-2-1-3-11(12)13(17)8-5-9(15)7-10(16)6-8/h1-7,13,17H
InChIKey
FJOZBNPSROYSCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Chlorophenyl)(3,5-difluorophenyl)methanol
CAS: 1305214-38-3
CID: 61649114
Formula: C13H9ClF2O
MW: 254.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight254.66
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass254.0309989
Monoisotopic Mass254.0309989
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes