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Home Nitriles 3-Bromo-4-methoxybenzonitrile

3-Bromo-4-methoxybenzonitrile

CAS No.:
117572-79-9
Catalog Number:
AG003J23
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$88
- +
100g
98%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG003J23
Chemical Name:
3-Bromo-4-methoxybenzonitrile
CAS Number:
117572-79-9
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD00143097
IUPAC Name:
3-bromo-4-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key:
QHWZMDRKTYTPEE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)OC
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties