Home Other Building Blocks 3-Fluoro-2-(trifluoromethyl)ph

3-Fluoro-2-(trifluoromethyl)ph

CAS No.:
897940-14-6
Catalog Number:
AG00H0TP
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
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Product Description
Catalog Number:
AG00H0TP
Chemical Name:
3-Fluoro-2-(trifluoromethyl)ph
CAS Number:
897940-14-6
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
MDL Number:
MFCD09832251
IUPAC Name:
2-[3-fluoro-2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6F4O2/c10-6-3-1-2-5(4-7(14)15)8(6)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
MQDCRGGUZQIVBB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1C(F)(F)F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties