Home Halogens 5-(3-bromo-4-fluorophenyl)pentanoic acid

5-(3-bromo-4-fluorophenyl)pentanoic acid

CAS No.:
1509782-05-1
Catalog Number:
AG01DIKI
Molecular Formula:
C11H12BrFO2
Molecular Weight:
275.1142
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Product Description
Catalog Number:
AG01DIKI
Chemical Name:
5-(3-bromo-4-fluorophenyl)pentanoic acid
CAS Number:
1509782-05-1
Molecular Formula:
C11H12BrFO2
Molecular Weight:
275.1142
MDL Number:
MFCD23757246
IUPAC Name:
5-(3-bromo-4-fluorophenyl)pentanoic acid
InChI:
InChI=1S/C11H12BrFO2/c12-9-7-8(5-6-10(9)13)3-1-2-4-11(14)15/h5-7H,1-4H2,(H,14,15)
InChI Key:
KHUDOWOYMXAOAP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1ccc(c(c1)Br)F
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.117g/mol
Monoisotopic Mass:
274g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties