Home Other Building Blocks 3-(difluoromethyl)-4-fluorobenzoic acid

3-(difluoromethyl)-4-fluorobenzoic acid

CAS No.:
1781570-25-9
Catalog Number:
AG01BTZF
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
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Product Description
Catalog Number:
AG01BTZF
Chemical Name:
3-(difluoromethyl)-4-fluorobenzoic acid
CAS Number:
1781570-25-9
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD28522912
IUPAC Name:
3-(difluoromethyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C8H5F3O2/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,7H,(H,12,13)
InChI Key:
XNQVOHDSKCXHCT-UHFFFAOYSA-N
SMILES:
FC(c1cc(ccc1F)C(=O)O)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:
2.2  
Properties