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(4-Bromo-2-chlorophenyl) methanol

CAT: 0127-OR019115-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR019115-01Size:1 g
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CAS Number
185315-48-4
MDL Number
MFCD12065643
Purity
98%
Smiles
OCc1ccc(Br)cc1Cl
Storage Conditions
Store at 2-8°C

Chemical Information

(4-Bromo-2-chlorophenyl)methanol
CAS Number185315-48-4
PubChem CID43805739
IUPAC Name(4-bromo-2-chlorophenyl)methanol
Molecular FormulaC7H6BrClO
Molecular Weight221.48
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
C1=CC(=C(C=C1Br)Cl)CO
InChI
InChI=1S/C7H6BrClO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey
PAQVZCDJJABVMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Bromo-2-chlorophenyl)methanol
CAS: 185315-48-4
CID: 43805739
Formula: C7H6BrClO
MW: 221.48
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight221.48
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass219.92906
Monoisotopic Mass219.92906
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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