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2,3-Dibromo-3-(2-bromophenyl)propionic Acid

CAT: 0572-TRC-D425115-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D425115-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
246876-04-0
Hazard Statement
No Data Available
Smiles
OC(=O)C(Br)C(Br)c1ccccc1Br
Molecular Formula
C9 H7 Br3 O2
Molecular Weight
386.86
InChI
InChI=1S/C9H7Br3O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,(H,13,14)
Additionnal Information
IUPAC name: 2,3-dibromo-3-(2-bromophenyl)propanoic acid
Shipping Conditions
Room Temperature

Chemical Information

2,3-Dibromo-3-(2-bromophenyl)propionic acid
CAS Number246876-04-0
PubChem CID5127524
IUPAC Name2,3-dibromo-3-(2-bromophenyl)propanoic acid
Molecular FormulaC9H7Br3O2
Molecular Weight386.86
XLogP3.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity210
SMILES
C1=CC=C(C(=C1)C(C(C(=O)O)Br)Br)Br
InChI
InChI=1S/C9H7Br3O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,(H,13,14)
InChIKey
IOATZQRJTIURPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dibromo-3-(2-bromophenyl)propionic acid
CAS: 246876-04-0
CID: 5127524
Formula: C9H7Br3O2
MW: 386.86
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.86
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass385.79757
Monoisotopic Mass383.79962
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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