Home Other Building Blocks 2-(1,1-DIFLUOROETHYL)BENZOIC ACID

2-(1,1-DIFLUOROETHYL)BENZOIC ACID

CAS No.:
892390-46-4
Catalog Number:
AG01DWSR
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
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Product Description
Catalog Number:
AG01DWSR
Chemical Name:
2-(1,1-DIFLUOROETHYL)BENZOIC ACID
CAS Number:
892390-46-4
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD20659035
IUPAC Name:
2-(1,1-difluoroethyl)benzoic acid
InChI:
InChI=1S/C9H8F2O2/c1-9(10,11)7-5-3-2-4-6(7)8(12)13/h2-5H,1H3,(H,12,13)
InChI Key:
DXVYQPFJNAMVLH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(F)(F)C
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties