Home Halogens 3-(3-bromo-4-fluorophenyl)butanoic acid

3-(3-bromo-4-fluorophenyl)butanoic acid

CAS No.:
1536945-00-2
Catalog Number:
AG01BBF9
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBF9
Chemical Name:
3-(3-bromo-4-fluorophenyl)butanoic acid
CAS Number:
1536945-00-2
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
MDL Number:
MFCD26658140
IUPAC Name:
3-(3-bromo-4-fluorophenyl)butanoic acid
InChI:
InChI=1S/C10H10BrFO2/c1-6(4-10(13)14)7-2-3-9(12)8(11)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)
InChI Key:
IDEMSQYTNLYACJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c(c1)Br)F)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.09g/mol
Monoisotopic Mass:
259.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties