Home Halogens Benzeneacetonitrile, 2-bromo-4-methoxy-

Benzeneacetonitrile, 2-bromo-4-methoxy-

CAS No.:
66916-98-1
Catalog Number:
AG01DTTJ
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
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Product Description
Catalog Number:
AG01DTTJ
Chemical Name:
Benzeneacetonitrile, 2-bromo-4-methoxy-
CAS Number:
66916-98-1
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD18391930
IUPAC Name:
2-(2-bromo-4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrNO/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,6H,4H2,1H3
InChI Key:
HGIMMKGDPPDRTN-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1Br)OC
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