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871717-61-2 | 1-Bromo-2-ethoxy-4-fluorobenzene
CAS No: 871717-61-2 Catalog No: AG004T9I MDL No:MFCD03095002
Product Description
Catalog Number:
AG004T9I
Chemical Name:
1-Bromo-2-ethoxy-4-fluorobenzene
CAS Number:
871717-61-2
Molecular Formula:
C8H8BrFO
Molecular Weight:
219.0509
MDL Number:
MFCD03095002
IUPAC Name:
1-bromo-2-ethoxy-4-fluorobenzene
InChI:
InChI=1S/C8H8BrFO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2H2,1H3
InChI Key:
MCLBVTBTDQSOSY-UHFFFAOYSA-N
SMILES:
CCOc1cc(F)ccc1Br
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.053g/mol
Monoisotopic Mass:
217.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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