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Home > Bromides > 1365271-92-6
1365271-92-6 | Benzonitrile, 2-bromo-6-ethoxy-
CAS No: 1365271-92-6 Catalog No: AG0011ZW MDL No:MFCD21609677
Product Description
Catalog Number:
AG0011ZW
Chemical Name:
Benzonitrile, 2-bromo-6-ethoxy-
CAS Number:
1365271-92-6
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD21609677
IUPAC Name:
2-bromo-6-ethoxybenzonitrile
InChI:
InChI=1S/C9H8BrNO/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5H,2H2,1H3
InChI Key:
DSKBMPDFXIBMJK-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1C#N)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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