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136366-42-2

136366-42-2 | Benzonitrile, 3-bromo-4-ethoxy-

CAS No: 136366-42-2 Catalog No: AG0011SN MDL No:

Product Description

Catalog Number:
AG0011SN
Chemical Name:
Benzonitrile, 3-bromo-4-ethoxy-
CAS Number:
136366-42-2
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
IUPAC Name:
3-bromo-4-ethoxybenzonitrile
InChI:
InChI=1S/C9H8BrNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2H2,1H3
InChI Key:
POVUENZMXWGMMC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)C#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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