Home Other Building Blocks 3-(3,4-difluorophenyl)butanoic acid

3-(3,4-difluorophenyl)butanoic acid

CAS No.:
1042641-92-8
Catalog Number:
AG01EK8B
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
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Product Description
Catalog Number:
AG01EK8B
Chemical Name:
3-(3,4-difluorophenyl)butanoic acid
CAS Number:
1042641-92-8
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
MDL Number:
MFCD11172896
IUPAC Name:
3-(3,4-difluorophenyl)butanoic acid
InChI:
InChI=1S/C10H10F2O2/c1-6(4-10(13)14)7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)
InChI Key:
XEGNLSSZSLFSBH-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c(c1)F)F)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.185g/mol
Monoisotopic Mass:
200.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties