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Home Nitriles 2-(3-Bromo-4-methoxyphenyl)acetonitrile

2-(3-Bromo-4-methoxyphenyl)acetonitrile

CAS No.:
772-59-8
Catalog Number:
AG003J28
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$167
- +
25g
>98.0%(GC)
1 week
United States
$441
- +
Product Description
Catalog Number:
AG003J28
Chemical Name:
2-(3-Bromo-4-methoxyphenyl)acetonitrile
CAS Number:
772-59-8
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD00016391
IUPAC Name:
2-(3-bromo-4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChI Key:
OBJKHHRZMIIEOK-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Br)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:
1.9  
Literature
Title Journal
Two new bromotyrosine-derived metabolites from the sponge Psammaplysilla purpurea. Chemical & pharmaceutical bulletin 20030801
Properties