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100638-28-6 | Benzeneacetic acid, α-bromo-2-fluoro-, ethyl ester
CAS No: 100638-28-6 Catalog No: AG0002JE MDL No:MFCD21977270
Product Description
Catalog Number:
AG0002JE
Chemical Name:
Benzeneacetic acid, α-bromo-2-fluoro-, ethyl ester
CAS Number:
100638-28-6
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
MDL Number:
MFCD21977270
IUPAC Name:
ethyl 2-bromo-2-(2-fluorophenyl)acetate
InChI:
InChI=1S/C10H10BrFO2/c1-2-14-10(13)9(11)7-5-3-4-6-8(7)12/h3-6,9H,2H2,1H3
InChI Key:
YKRLHAOXUXKBRE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1F)Br
Properties
Complexity:
199
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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