Home Other Building Blocks 2-Chloro-4-(4-cyanophenyl)benzoic acid

2-Chloro-4-(4-cyanophenyl)benzoic acid

CAS No.:
1261945-47-4
Catalog Number:
AG000S83
Molecular Formula:
C14H8ClNO2
Molecular Weight:
257.6718
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG000S83
Chemical Name:
2-Chloro-4-(4-cyanophenyl)benzoic acid
CAS Number:
1261945-47-4
Molecular Formula:
C14H8ClNO2
Molecular Weight:
257.6718
MDL Number:
MFCD18319161
IUPAC Name:
2-chloro-4-(4-cyanophenyl)benzoic acid
InChI:
InChI=1S/C14H8ClNO2/c15-13-7-11(5-6-12(13)14(17)18)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18)
InChI Key:
AFHPJWJSDUYNJK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.024g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.673g/mol
Monoisotopic Mass:
257.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties