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872045-88-0 | Benzonitrile, 4-(2-bromoethoxy)-3-fluoro-
CAS No: 872045-88-0 Catalog No: AG004JY8 MDL No:MFCD26395931
Product Description
Catalog Number:
AG004JY8
Chemical Name:
Benzonitrile, 4-(2-bromoethoxy)-3-fluoro-
CAS Number:
872045-88-0
Molecular Formula:
C9H7BrFNO
Molecular Weight:
244.0604
MDL Number:
MFCD26395931
IUPAC Name:
4-(2-bromoethoxy)-3-fluorobenzonitrile
InChI:
InChI=1S/C9H7BrFNO/c10-3-4-13-9-2-1-7(6-12)5-8(9)11/h1-2,5H,3-4H2
InChI Key:
AJWRIWXNSIYISH-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1F)C#N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.063g/mol
Monoisotopic Mass:
242.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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