Home Other Building Blocks 3-Chloro-4-methylbenzoic acid

3-Chloro-4-methylbenzoic acid

CAS No.:
5162-82-3
Catalog Number:
AG0033NT
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$14
- +
25g
98%
In Stock USA
United States
$43
- +
100g
>97%
In Stock USA
United States
$123
- +
Product Description
Catalog Number:
AG0033NT
Chemical Name:
3-Chloro-4-methylbenzoic acid
CAS Number:
5162-82-3
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00045841
IUPAC Name:
3-chloro-4-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key:
SDKUOEOJAXGCLU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)C
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:
3.1  
Properties