Home Other Building Blocks 5-Bromo-2-cyanobenzoic acid

5-Bromo-2-cyanobenzoic acid

CAS No.:
1032231-28-9
Catalog Number:
AG008Z0Z
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$167
- +
1g
95%
1 week
United States
$362
- +
5g
95%
1 week
United States
$1010
- +
Product Description
Catalog Number:
AG008Z0Z
Chemical Name:
5-Bromo-2-cyanobenzoic acid
CAS Number:
1032231-28-9
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
MDL Number:
MFCD15523585
IUPAC Name:
5-bromo-2-cyanobenzoic acid
InChI:
InChI=1S/C8H4BrNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3H,(H,11,12)
InChI Key:
HELBBGLIOALLAF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(=O)O)Br
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.943g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.029g/mol
Monoisotopic Mass:
224.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties