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887234-81-3 | 2-Bromo-5-fluorophenoxyacetic acid methyl ester
CAS No: 887234-81-3 Catalog No: AG01EYHT MDL No:MFCD20485228
Product Description
Catalog Number:
AG01EYHT
Chemical Name:
2-Bromo-5-fluorophenoxyacetic acid methyl ester
CAS Number:
887234-81-3
Molecular Formula:
C9H8BrFO3
Molecular Weight:
263.0604
MDL Number:
MFCD20485228
IUPAC Name:
methyl 2-(2-bromo-5-fluorophenoxy)acetate
InChI:
InChI=1S/C9H8BrFO3/c1-13-9(12)5-14-8-4-6(11)2-3-7(8)10/h2-4H,5H2,1H3
InChI Key:
GGFGZDXOLHCIDI-UHFFFAOYSA-N
SMILES:
COC(=O)COc1cc(F)ccc1Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.062g/mol
Monoisotopic Mass:
261.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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