Home Other Building Blocks 4-methyl-2-(trifluoromethoxy)benzoic acid

4-methyl-2-(trifluoromethoxy)benzoic acid

CAS No.:
1261747-62-9
Catalog Number:
AG01BJ0G
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
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Product Description
Catalog Number:
AG01BJ0G
Chemical Name:
4-methyl-2-(trifluoromethoxy)benzoic acid
CAS Number:
1261747-62-9
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD18399746
IUPAC Name:
4-methyl-2-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C9H7F3O3/c1-5-2-3-6(8(13)14)7(4-5)15-9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
BPDKBPYHHXWZRM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1OC(F)(F)F)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties