Home Nitriles 2-(2-Bromo-5-methoxyphenyl)acetonitrile

2-(2-Bromo-5-methoxyphenyl)acetonitrile

CAS No.:
27387-23-1
Catalog Number:
AG007L52
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
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Product Description
Catalog Number:
AG007L52
Chemical Name:
2-(2-Bromo-5-methoxyphenyl)acetonitrile
CAS Number:
27387-23-1
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD09927439
IUPAC Name:
2-(2-bromo-5-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
VSSZEBGUCILFSV-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)ccc1Br
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:
2.2  
Properties