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4-Bromophenol-2,3,5,6-d4

CAT: 0572-TRC-B686407-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B686407-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152404-44-9
Synonyms
Phen-2,3,5,6-d4-ol, 4-bromo-; 4-Bromophen-2,3,5,6-d4-ol; 4-Bromophenol D4; 4-Bromophenol (ring-D4); 4-Bromo-2,3,5,6-tetradeuteriophenol
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c(Br)c([2H])c([2H])c1O
Molecular Formula
C6 2H4 H Br O
Molecular Weight
177.03
InChI
InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H/i1D,2D,3D,4D
Additionnal Information
IUPAC name: 4-bromo-2,3,5,6-tetradeuteriophenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Bromophenol-2,3,5,6-D4
CAS Number152404-44-9
PubChem CID57608716
IUPAC Name4-bromo-2,3,5,6-tetradeuteriophenol
Molecular FormulaC6H5BrO
Molecular Weight177.03
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity66
SMILES
[2H]C1=C(C(=C(C(=C1O)[2H])[2H])Br)[2H]
InChI
InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H/i1D,2D,3D,4D
InChIKey
GZFGOTFRPZRKDS-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromophenol-2,3,5,6-D4
CAS: 152404-44-9
CID: 57608716
Formula: C6H5BrO
MW: 177.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.03
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass175.97748
Monoisotopic Mass175.97748
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
Isotope Atom Count4
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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CatalogName
431282-014-Bromophenol-2,3,5,6-d4
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MBS6087128-01Isonicoteine-3,4,5,6-d4 (2,3'-Bipyridine-3,4,5,6-d4, 2,3'-Dipyridyl-3,4,5,6-d4)
TMIJ-0415-012-Chlorophenol-d4 (3,4,5,6-d4)
G2024-72Genistein-2’,3’,5’,6’-d4 (4',5,7-Trihydroxyisoflavone-2’,3’,5’,6’-d4)
MBS6015806-01Genistein-2',3',5',6'-d4 (4',5,7-Trihydroxyisoflavone-2',3',5',6'-d4)
3217-15-0-012,6-Dichloro-4-bromophenol
CS-O-06608Ezetimibe-d4 (4-Fluorophenyl-2,3,5,6-d4)
CS-EO-02365Atovaquone-D4 (4-chlorophenyl-2,3,5,6-d4)
UYB80357-01Daidzein-d4 (4-hydroxyphenyl-2,3,5,6-d4)

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