Home Other Building Blocks 2,2-difluoro-2-(pyridin-4-yl)acetic acid

2,2-difluoro-2-(pyridin-4-yl)acetic acid

CAS No.:
1263178-28-4
Catalog Number:
AG01ABSH
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
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Product Description
Catalog Number:
AG01ABSH
Chemical Name:
2,2-difluoro-2-(pyridin-4-yl)acetic acid
CAS Number:
1263178-28-4
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD18791570
IUPAC Name:
2,2-difluoro-2-pyridin-4-ylacetic acid
InChI:
InChI=1S/C7H5F2NO2/c8-7(9,6(11)12)5-1-3-10-4-2-5/h1-4H,(H,11,12)
InChI Key:
UXTFZNJZPAMSTD-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccncc1)(F)F
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties