Home Other Building Blocks 5-(difluoromethyl)-2-fluorobenzoic acid

5-(difluoromethyl)-2-fluorobenzoic acid

CAS No.:
1429421-95-3
Catalog Number:
AG01B6M7
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
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Product Description
Catalog Number:
AG01B6M7
Chemical Name:
5-(difluoromethyl)-2-fluorobenzoic acid
CAS Number:
1429421-95-3
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD28402675
IUPAC Name:
5-(difluoromethyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C8H5F3O2/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,7H,(H,12,13)
InChI Key:
YCFJDWIZTPHHRJ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(c(c1)C(=O)O)F)F
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties