Home Halogens 2-[4-(bromomethyl)phenoxy]acetonitrile

2-[4-(bromomethyl)phenoxy]acetonitrile

CAS No.:
1092078-26-6
Catalog Number:
AG01AANA
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
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Product Description
Catalog Number:
AG01AANA
Chemical Name:
2-[4-(bromomethyl)phenoxy]acetonitrile
CAS Number:
1092078-26-6
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD11180381
IUPAC Name:
2-[4-(bromomethyl)phenoxy]acetonitrile
InChI:
InChI=1S/C9H8BrNO/c10-7-8-1-3-9(4-2-8)12-6-5-11/h1-4H,6-7H2
InChI Key:
OPXUFAFXIWROQU-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)OCC#N
Properties
Complexity:
167  
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:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties