Home Other Building Blocks 3-(2,4-difluorophenyl)butanoic acid

3-(2,4-difluorophenyl)butanoic acid

CAS No.:
1042815-69-9
Catalog Number:
AG01A1XY
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
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Product Description
Catalog Number:
AG01A1XY
Chemical Name:
3-(2,4-difluorophenyl)butanoic acid
CAS Number:
1042815-69-9
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
MDL Number:
MFCD11172895
IUPAC Name:
3-(2,4-difluorophenyl)butanoic acid
InChI:
InChI=1S/C10H10F2O2/c1-6(4-10(13)14)8-3-2-7(11)5-9(8)12/h2-3,5-6H,4H2,1H3,(H,13,14)
InChI Key:
JROPKMLQQNKNMQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1F)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