Home Other Building Blocks 2-[4-(trifluoromethyl)pyridin-3-yl]acetic acid

2-[4-(trifluoromethyl)pyridin-3-yl]acetic acid

CAS No.:
1227607-93-3
Catalog Number:
AG01BBQA
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
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Product Description
Catalog Number:
AG01BBQA
Chemical Name:
2-[4-(trifluoromethyl)pyridin-3-yl]acetic acid
CAS Number:
1227607-93-3
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD11848109
IUPAC Name:
2-[4-(trifluoromethyl)pyridin-3-yl]acetic acid
InChI:
InChI=1S/C8H6F3NO2/c9-8(10,11)6-1-2-12-4-5(6)3-7(13)14/h1-2,4H,3H2,(H,13,14)
InChI Key:
YUZUMMPAYONDMB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cnccc1C(F)(F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties