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CAT: 0607-BA8419-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8419-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
291766-06-8
Form
A solid
Molecular Formula
C24H17BrO6
Molecular Weight
481.29
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

1-Bromo-2,5-bis(3-carboxy-4-hydroxystyryl)benzene
CAS Number291766-06-8
PubChem CID10184360
IUPAC Name5-[(E)-2-[3-bromo-4-[(E)-2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
Molecular FormulaC24H17BrO6
Molecular Weight481.3
XLogP6.6
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity692
SMILES
C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2)O)C(=O)O)Br)/C=C/C3=CC(=C(C=C3)O)C(=O)O
InChI
InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3+
InChIKey
ZVECSLHUCRIBDY-WMWQKROPSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2,5-bis(3-carboxy-4-hydroxystyryl)benzene
CAS: 291766-06-8
CID: 10184360
Formula: C24H17BrO6
MW: 481.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.3
XLogP36.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass480.02085
Monoisotopic Mass480.02085
Topological Polar Surface Area115 Ų
Heavy Atom Count31
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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