Home Halogens propan-2-yl 5-bromo-2-fluorobenzoate

propan-2-yl 5-bromo-2-fluorobenzoate

CAS No.:
1369403-80-4
Catalog Number:
AG01A72L
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
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Product Description
Catalog Number:
AG01A72L
Chemical Name:
propan-2-yl 5-bromo-2-fluorobenzoate
CAS Number:
1369403-80-4
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
MDL Number:
MFCD21101346
IUPAC Name:
propan-2-yl 5-bromo-2-fluorobenzoate
InChI:
InChI=1S/C10H10BrFO2/c1-6(2)14-10(13)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3
InChI Key:
XNBVENDIDDDPAR-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1cc(Br)ccc1F)C
Properties
Complexity:
208  
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:
0
Isotope Atom Count:
0
Molecular Weight:
261.09g/mol
Monoisotopic Mass:
259.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties