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206551-41-9 | Benzoic acid, 3-bromo-2-fluoro-, methyl ester
CAS No: 206551-41-9 Catalog No: AG002IJO MDL No:MFCD09261255
Product Description
Catalog Number:
AG002IJO
Chemical Name:
Benzoic acid, 3-bromo-2-fluoro-, methyl ester
CAS Number:
206551-41-9
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD09261255
IUPAC Name:
methyl 3-bromo-2-fluorobenzoate
InChI:
InChI=1S/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChI Key:
ZWOFHFOFKBYRHV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1F)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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