Home Carboxys 1-(Difluoromethyl)-1h-pyrrole-2-carboxylic acid

1-(Difluoromethyl)-1h-pyrrole-2-carboxylic acid

CAS No.:
1523056-12-3
Catalog Number:
AG00J2QR
Molecular Formula:
C6H5F2NO2
Molecular Weight:
161.1062
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00J2QR
Chemical Name:
1-(Difluoromethyl)-1h-pyrrole-2-carboxylic acid
CAS Number:
1523056-12-3
Molecular Formula:
C6H5F2NO2
Molecular Weight:
161.1062
MDL Number:
MFCD26940360
IUPAC Name:
1-(difluoromethyl)pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H5F2NO2/c7-6(8)9-3-1-2-4(9)5(10)11/h1-3,6H,(H,10,11)
InChI Key:
HXSZUXJGFSJJNV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn1C(F)F
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.029g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.108g/mol
Monoisotopic Mass:
161.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties