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4-Bromo-2-methoxy-5-methylphenol

CAT: 0127-OR1096033-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1096033-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40992-09-4
MDL Number
MFCD20483892
Purity
95%
Smiles
C1 (c (cc (c (c1) Br) C) O) OC

Chemical Information

4-Bromo-2-methoxy-5-methylphenol
CAS Number40992-09-4
PubChem CID612303
IUPAC Name4-bromo-2-methoxy-5-methylphenol
Molecular FormulaC8H9BrO2
Molecular Weight217.06
XLogP2.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity129
SMILES
CC1=CC(=C(C=C1Br)OC)O
InChI
InChI=1S/C8H9BrO2/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4,10H,1-2H3
InChIKey
JDGOYQOXCIBZRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-methoxy-5-methylphenol
CAS: 40992-09-4
CID: 612303
Formula: C8H9BrO2
MW: 217.06
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.06
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass215.97859
Monoisotopic Mass215.97859
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity129
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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