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

4-Chloro-3-cyanobenzoic acid

CAS No.:
117738-76-8
Catalog Number:
AG0038YL
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$104
- +
250mg
95%
In Stock USA
United States
$178
- +
1g
95%
In Stock USA
United States
$372
- +
Product Description
Catalog Number:
AG0038YL
Chemical Name:
4-Chloro-3-cyanobenzoic acid
CAS Number:
117738-76-8
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
MDL Number:
MFCD09999808
IUPAC Name:
4-chloro-3-cyanobenzoic acid
InChI:
InChI=1S/C8H4ClNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)
InChI Key:
FYNLALHBLSJPBQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)C(=O)O
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.993g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.575g/mol
Monoisotopic Mass:
180.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties