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3,4-Dichlorophenylacetic acid

CAT: 0024-sc-231986Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-231986Size:5 g
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CAS Number
5807-30-7

Chemical Information

3,4-Dichlorophenylacetic acid
CAS Number5807-30-7
PubChem CID79874
IUPAC Name2-(3,4-dichlorophenyl)acetic acid
Molecular FormulaC8H6Cl2O2
Molecular Weight205.03
XLogP3.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
C1=CC(=C(C=C1CC(=O)O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
ZOUPGSMSNQLUNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dichlorophenylacetic acid
CAS: 5807-30-7
CID: 79874
Formula: C8H6Cl2O2
MW: 205.03
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.03
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass203.9744848
Monoisotopic Mass203.9744848
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
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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Alternative Products

CatalogName
FD38370-013,4-Dichlorophenylacetic acid
OR0360-013,4-Dichlorophenylacetic acid hydrazide
OR5793-012,4-Dichlorophenylacetic acid
427344-013,5-Dichlorophenylacetic Acid
419636-012,3-Dichlorophenylacetic acid
TRC-D436305-100G2,6-Dichlorophenylacetic Acid
272061-012,6-Dichlorophenylacetic acid methyl ester
419502-012,2'-Dichlorophenylacetic acid methyl ester
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