Home Carboxys 4-Bromo-3-cyanothiophene-2-carboxylic acid

4-Bromo-3-cyanothiophene-2-carboxylic acid

CAS No.:
1951439-53-4
Catalog Number:
AG00I367
Molecular Formula:
C6H2BrNO2S
Molecular Weight:
232.0546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$275
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00I367
Chemical Name:
4-Bromo-3-cyanothiophene-2-carboxylic acid
CAS Number:
1951439-53-4
Molecular Formula:
C6H2BrNO2S
Molecular Weight:
232.0546
MDL Number:
MFCD30182384
IUPAC Name:
4-bromo-3-cyanothiophene-2-carboxylic acid
InChI:
InChI=1S/C6H2BrNO2S/c7-4-2-11-5(6(9)10)3(4)1-8/h2H,(H,9,10)
InChI Key:
AKEKHJAUYBFGBP-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)csc1C(=O)O
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.899g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.051g/mol
Monoisotopic Mass:
230.899g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties