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(2-Bromo-4-chlorophenyl)methanol

CAT: 0572-TRC-B592630-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B592630-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143888-84-0
Hazard Statement
Causes skin irritation
Smiles
OCc1ccc(Cl)cc1Br
Molecular Formula
C7 H6 Br Cl O
Molecular Weight
221.479
InChI
InChI=1S/C7H6BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
Additionnal Information
IUPAC name: (2-bromo-4-chlorophenyl)methanol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(2-Bromo-4-chlorophenyl)methanol
CAS Number143888-84-0
PubChem CID54049764
IUPAC Name(2-bromo-4-chlorophenyl)methanol
Molecular FormulaC7H6BrClO
Molecular Weight221.48
XLogP2.4
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=C1Cl)Br)CO
InChI
InChI=1S/C7H6BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKey
LSBLTOOILFNPNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Bromo-4-chlorophenyl)methanol
CAS: 143888-84-0
CID: 54049764
Formula: C7H6BrClO
MW: 221.48
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.48
XLogP32.4
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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