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Home > Bromides > 1255870-63-3
1255870-63-3 | Benzonitrile, 4-bromo-2-ethoxy-
CAS No: 1255870-63-3 Catalog No: AG000NX8 MDL No:MFCD22571081
Product Description
Catalog Number:
AG000NX8
Chemical Name:
Benzonitrile, 4-bromo-2-ethoxy-
CAS Number:
1255870-63-3
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD22571081
IUPAC Name:
4-bromo-2-ethoxybenzonitrile
InChI:
InChI=1S/C9H8BrNO/c1-2-12-9-5-8(10)4-3-7(9)6-11/h3-5H,2H2,1H3
InChI Key:
BYYLYSYPEWKIPJ-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)ccc1C#N
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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