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2-Bromophenylacetic Acid

CAT: 0572-TRC-B687905-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687905-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18698-97-0
Synonyms
2-Bromobenzeneacetic Acid; o-Bromophenylacetic Acid
Hazard Statement
No Data Available
Smiles
BrC1=C(CC(O)=O)C=CC=C1
Molecular Formula
C8H7BrO2
Molecular Weight
215.04
InChI
InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
Additionnal Information
IUPAC name: 2-(2-bromophenyl)acetic acid
Shipping Conditions
Room Temperature

Chemical Information

2-Bromophenylacetic acid
CAS Number18698-97-0
PubChem CID87754
IUPAC Name2-(2-bromophenyl)acetic acid
Molecular FormulaC8H7BrO2
Molecular Weight215.04
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
C1=CC=C(C(=C1)CC(=O)O)Br
InChI
InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
DWXSYDKEWORWBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromophenylacetic acid
CAS: 18698-97-0
CID: 87754
Formula: C8H7BrO2
MW: 215.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.04
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass213.96294
Monoisotopic Mass213.96294
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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