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Home Other Building Blocks 3-Chlorophenylacetic acid

3-Chlorophenylacetic acid

CAS No.:
1878-65-5
Catalog Number:
AG002GI0
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG002GI0
Chemical Name:
3-Chlorophenylacetic acid
CAS Number:
1878-65-5
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00004332
IUPAC Name:
2-(3-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
WFPMUFXQDKMVCO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)Cl
EC Number:
217-520-0
NSC Number:
87556
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library. Bioorganic & medicinal chemistry 20100101
3-(3-Chloro-benz-yl)-1H-isochromen-1-one. Acta crystallographica. Section E, Structure reports online 20081001
Properties