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3,5-Dichlorophenylacetic acid

CAT: 0024-sc-482867Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-482867Size:250 mg
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CAS Number
51719-65-4

Chemical Information

2-(3,5-Dichlorophenyl)acetic acid
CAS Number51719-65-4
PubChem CID6452487
IUPAC Name2-(3,5-dichlorophenyl)acetic acid
Molecular FormulaC8H6Cl2O2
Molecular Weight205.03
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
C1=C(C=C(C=C1Cl)Cl)CC(=O)O
InChI
InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKey
RERINLRFXYGZEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,5-Dichlorophenyl)acetic acid
CAS: 51719-65-4
CID: 6452487
Formula: C8H6Cl2O2
MW: 205.03
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.03
XLogP32.6
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
Complexity162
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
427344-013,5-Dichlorophenylacetic Acid
FD38370-013,4-Dichlorophenylacetic acid
419636-012,3-Dichlorophenylacetic acid
OR0360-013,4-Dichlorophenylacetic acid hydrazide
TRC-D436305-100G2,6-Dichlorophenylacetic Acid
OR5793-012,4-Dichlorophenylacetic acid
272061-012,6-Dichlorophenylacetic acid methyl ester
419502-012,2'-Dichlorophenylacetic acid methyl ester
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