Home Other Building Blocks 3-Chloro-5-methylbenzoic acid

3-Chloro-5-methylbenzoic acid

CAS No.:
56961-33-2
Catalog Number:
AG0033O5
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$45
- +
10g
98%
In Stock USA
United States
$85
- +
25g
98%
In Stock USA
United States
$163
- +
100g
98%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG0033O5
Chemical Name:
3-Chloro-5-methylbenzoic acid
CAS Number:
56961-33-2
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD11007823
IUPAC Name:
3-chloro-5-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
InChI Key:
MZUIOLZHUUHESU-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)cc(c1)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:
2.4  
Properties