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Home > Bromides > 1003048-71-2
1003048-71-2 | Benzenepropanoic acid, 2-bromo-5-fluoro-
CAS No: 1003048-71-2 Catalog No: AG0001K5 MDL No:MFCD11036290
Product Description
Catalog Number:
AG0001K5
Chemical Name:
Benzenepropanoic acid, 2-bromo-5-fluoro-
CAS Number:
1003048-71-2
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD11036290
IUPAC Name:
3-(2-bromo-5-fluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8BrFO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)
InChI Key:
CBKSPBGBNLIACD-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(F)ccc1Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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