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Home Other Building Blocks 4-(Chloromethyl)benzoic acid

4-(Chloromethyl)benzoic acid

CAS No.:
1642-81-5
Catalog Number:
AG001UPS
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
$225
- +
Product Description
Catalog Number:
AG001UPS
Chemical Name:
4-(Chloromethyl)benzoic acid
CAS Number:
1642-81-5
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00002568
IUPAC Name:
4-(chloromethyl)benzoic acid
InChI:
InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
OITNBJHJJGMFBN-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(=O)O
EC Number:
216-697-1
NSC Number:
123935
Properties
Complexity:
139  
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:
2.2  
Literature
Title Journal
Design, synthesis, and discovery of stilbene derivatives based on lithospermic acid B as potent protein tyrosine phosphatase 1B inhibitors. Bioorganic & medicinal chemistry letters 20070815
The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene. Dalton transactions (Cambridge, England : 2003) 20050521
Properties