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139911-28-7 | Ethyl 2-bromo-5-fluorobenzoate
CAS No: 139911-28-7 Catalog No: AG003Q3K MDL No:MFCD06204688
Product Description
Catalog Number:
AG003Q3K
Chemical Name:
Ethyl 2-bromo-5-fluorobenzoate
CAS Number:
139911-28-7
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD06204688
IUPAC Name:
ethyl 2-bromo-5-fluorobenzoate
InChI:
InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
InChI Key:
ODFAIHQRCRQZGM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(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:
0
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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