Home Other Building Blocks Benzoic acid, 4-(2,2-difluoroethoxy)-

Benzoic acid, 4-(2,2-difluoroethoxy)-

CAS No.:
921623-04-3
Catalog Number:
AG006HAF
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
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Product Description
Catalog Number:
AG006HAF
Chemical Name:
Benzoic acid, 4-(2,2-difluoroethoxy)-
CAS Number:
921623-04-3
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
MDL Number:
MFCD08696482
IUPAC Name:
4-(2,2-difluoroethoxy)benzoic acid
InChI:
InChI=1S/C9H8F2O3/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4,8H,5H2,(H,12,13)
InChI Key:
JPXVLMHHANYKKW-UHFFFAOYSA-N
SMILES:
FC(COc1ccc(cc1)C(=O)O)F
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.157g/mol
Monoisotopic Mass:
202.044g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties