Products for Research Use Only

2- (3-Chlorophenyl) Acetic Acid

CAT: 1299-RG-C081541-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RG-C081541-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1878-65-5
Synonyms
2- (3-chlorophenyl) acetic acid
Molecular Formula
C8H7ClO2
Molecular Weight
170.59
Product Name Synonym
2- (3-chlorophenyl) acetic acid

Chemical Information

3-Chlorophenylacetic acid
CAS Number1878-65-5
PubChem CID15879
IUPAC Name2-(3-chlorophenyl)acetic acid
Molecular FormulaC8H7ClO2
Molecular Weight170.59
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(=CC(=C1)Cl)CC(=O)O
InChI
InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
WFPMUFXQDKMVCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chlorophenylacetic acid
CAS: 1878-65-5
CID: 15879
Formula: C8H7ClO2
MW: 170.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight170.59
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.0134572
Monoisotopic Mass170.0134572
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