Home Other Building Blocks 3-(2,2-difluorocyclopropyl)benzoic acid

3-(2,2-difluorocyclopropyl)benzoic acid

CAS No.:
1896596-74-9
Catalog Number:
AG01DZ7B
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
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Product Description
Catalog Number:
AG01DZ7B
Chemical Name:
3-(2,2-difluorocyclopropyl)benzoic acid
CAS Number:
1896596-74-9
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
MDL Number:
MFCD31666172
IUPAC Name:
3-(2,2-difluorocyclopropyl)benzoic acid
InChI:
InChI=1S/C10H8F2O2/c11-10(12)5-8(10)6-2-1-3-7(4-6)9(13)14/h1-4,8H,5H2,(H,13,14)
InChI Key:
KONANCUVFMFIFD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C1CC1(F)F
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.169g/mol
Monoisotopic Mass:
198.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties