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(2,3-Dichloro-5-fluorophenyl) methanol

CAT: 0127-PC1012952Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC1012952Size:1 Each
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CAS Number
1803718-67-3
MDL Number
MFCD28786030
Purity
97%
Smiles
C1 (c (cc (cc1CO) F) Cl) Cl

Chemical Information

2,3-Dichloro-5-fluorobenzyl alcohol
CAS Number1803718-67-3
PubChem CID118815226
IUPAC Name(2,3-dichloro-5-fluorophenyl)methanol
Molecular FormulaC7H5Cl2FO
Molecular Weight195.01
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
C1=C(C=C(C(=C1CO)Cl)Cl)F
InChI
InChI=1S/C7H5Cl2FO/c8-6-2-5(10)1-4(3-11)7(6)9/h1-2,11H,3H2
InChIKey
UZXPPVJIJZUVPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dichloro-5-fluorobenzyl alcohol
CAS: 1803718-67-3
CID: 118815226
Formula: C7H5Cl2FO
MW: 195.01
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight195.01
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass193.9701483
Monoisotopic Mass193.9701483
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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