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(2-Bromo-4,6-dichlorophenyl) methanol

CAT: 0127-OR1080645Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
115615-21-9
MDL Number
MFCD27941813
Smiles
C1c (cc (c (c1Cl) CO) Br) Cl

Chemical Information

(2-Bromo-4,6-dichlorophenyl)methanol
CAS Number115615-21-9
PubChem CID14153164
IUPAC Name(2-bromo-4,6-dichlorophenyl)methanol
Molecular FormulaC7H5BrCl2O
Molecular Weight255.92
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
C1=C(C=C(C(=C1Cl)CO)Br)Cl
InChI
InChI=1S/C7H5BrCl2O/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2,11H,3H2
InChIKey
KKRGKPLATYTQGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Bromo-4,6-dichlorophenyl)methanol
CAS: 115615-21-9
CID: 14153164
Formula: C7H5BrCl2O
MW: 255.92
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.92
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass253.89008
Monoisotopic Mass253.89008
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

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