Home Halogens 3-(3-bromo-4-fluorophenyl)-2-methylpropanoic acid

3-(3-bromo-4-fluorophenyl)-2-methylpropanoic acid

CAS No.:
1251205-25-0
Catalog Number:
AG01A0KU
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
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Product Description
Catalog Number:
AG01A0KU
Chemical Name:
3-(3-bromo-4-fluorophenyl)-2-methylpropanoic acid
CAS Number:
1251205-25-0
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
MDL Number:
MFCD12794500
IUPAC Name:
3-(3-bromo-4-fluorophenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C10H10BrFO2/c1-6(10(13)14)4-7-2-3-9(12)8(11)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)
InChI Key:
WLIWVRUIZXCMBV-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(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:
3  
Properties