Home Other Building Blocks 2-Chloro-4-methylbenzoic acid

2-Chloro-4-methylbenzoic acid

CAS No.:
7697-25-8
Catalog Number:
AG0036N1
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
$29
- +
25g
95%
In Stock USA
United States
$83
- +
100g
98%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG0036N1
Chemical Name:
2-Chloro-4-methylbenzoic acid
CAS Number:
7697-25-8
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD03094667
IUPAC Name:
2-chloro-4-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key:
MYJUBDJLKREUGU-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)C(=O)O
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:
3.4  
Properties