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330-12-1 | 4-(Trifluoromethoxy)benzoic acid
CAS No: 330-12-1 Catalog No: AG003KAZ MDL No:MFCD00002541
Product Description
Catalog Number:
AG003KAZ
Chemical Name:
4-(Trifluoromethoxy)benzoic acid
CAS Number:
330-12-1
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD00002541
IUPAC Name:
4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChI Key:
RATSANVPHHXDCT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OC(F)(F)F
EC Number:
206-352-3
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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