Home Carboxys 6-(1,1-difluoroethyl)pyridine-2-carboxylic acid

6-(1,1-difluoroethyl)pyridine-2-carboxylic acid

CAS No.:
1211529-86-0
Catalog Number:
AG00ILDV
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
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Product Description
Catalog Number:
AG00ILDV
Chemical Name:
6-(1,1-difluoroethyl)pyridine-2-carboxylic acid
CAS Number:
1211529-86-0
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD18261114
IUPAC Name:
6-(1,1-difluoroethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H7F2NO2/c1-8(9,10)6-4-2-3-5(11-6)7(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
RSIRTUDFDFJYAW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(n1)C(F)(F)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties