sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens Benzenebutanoic acid, b-bromo-4-fluoro-g-oxo-

Benzenebutanoic acid, b-bromo-4-fluoro-g-oxo-

CAS No.:
49780-08-7
Catalog Number:
AG019P1Y
Molecular Formula:
C10H8BrFO3
Molecular Weight:
275.0711
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019P1Y
Chemical Name:
Benzenebutanoic acid, b-bromo-4-fluoro-g-oxo-
CAS Number:
49780-08-7
Molecular Formula:
C10H8BrFO3
Molecular Weight:
275.0711
MDL Number:
MFCD06335536
IUPAC Name:
3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H8BrFO3/c11-8(5-9(13)14)10(15)6-1-3-7(12)4-2-6/h1-4,8H,5H2,(H,13,14)
InChI Key:
CAZGDYWJCWEYTI-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1ccc(cc1)F)CC(=O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.073g/mol
Monoisotopic Mass:
273.964g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties