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3- (2-Chlorophenyl) propionic acid

CAT: 0286-C18079-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-C18079-01Size:1 g
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CAS Number
1643-28-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016547
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

3-(2-Chlorophenyl)propanoic acid
CAS Number1643-28-3
PubChem CID95676
IUPAC Name3-(2-chlorophenyl)propanoic acid
Molecular FormulaC9H9ClO2
Molecular Weight184.62
XLogP2.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
C1=CC=C(C(=C1)CCC(=O)O)Cl
InChI
InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
KZMDFTFGWIVSNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Chlorophenyl)propanoic acid
CAS: 1643-28-3
CID: 95676
Formula: C9H9ClO2
MW: 184.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.62
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass184.0291072
Monoisotopic Mass184.0291072
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
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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