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115821-21-1 | Acetic acid, 2-bromo-2-fluoro-2-phenoxy-, ethyl ester
CAS No: 115821-21-1 Catalog No: AG000GWR MDL No:
Product Description
Catalog Number:
AG000GWR
Chemical Name:
Acetic acid, 2-bromo-2-fluoro-2-phenoxy-, ethyl ester
CAS Number:
115821-21-1
Molecular Formula:
C10H10BrFO3
Molecular Weight:
277.0870
IUPAC Name:
ethyl 2-bromo-2-fluoro-2-phenoxyacetate
InChI:
InChI=1S/C10H10BrFO3/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
UNYUSJHWKHNNPQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccccc1)(Br)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.089g/mol
Monoisotopic Mass:
275.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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