Home Other Building Blocks 2-Chloro-5-methylbenzoic acid

2-Chloro-5-methylbenzoic acid

CAS No.:
6342-60-5
Catalog Number:
AG0036Z0
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$44
- +
10g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0036Z0
Chemical Name:
2-Chloro-5-methylbenzoic acid
CAS Number:
6342-60-5
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00045798
IUPAC Name:
2-chloro-5-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
LEBWXJZAWTVKFL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)Cl
NSC Number:
46623
Properties
Complexity:
158  
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:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
2-[4-Chloro-3-(4-ethoxy-benz-yl)phen-yl]-1,3-dithiane. Acta crystallographica. Section E, Structure reports online 20100601
Properties