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

2-Chloro-4-cyanobenzoic acid

CAS No.:
117738-77-9
Catalog Number:
AG00337S
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$75
- +
1g
96%
In Stock USA
United States
$137
- +
5g
96%
In Stock USA
United States
$400
- +
10g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00337S
Chemical Name:
2-Chloro-4-cyanobenzoic acid
CAS Number:
117738-77-9
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
MDL Number:
MFCD11036377
IUPAC Name:
2-chloro-4-cyanobenzoic acid
InChI:
InChI=1S/C8H4ClNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)
InChI Key:
VTROYYKGGOPEPS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)C(=O)O
NSC Number:
28694
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:
1.9  
Properties