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Home Halogens 2-Acetamido-5-bromo-3-nitrobenzotrifluoride

2-Acetamido-5-bromo-3-nitrobenzotrifluoride

CAS No.:
179062-00-1
Catalog Number:
AG00HZXB
Molecular Formula:
C9H6BrF3N2O3
Molecular Weight:
327.0547
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$107
- +
250mg
96%
In Stock USA
United States
$213
- +
1g
96%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00HZXB
Chemical Name:
2-Acetamido-5-bromo-3-nitrobenzotrifluoride
CAS Number:
179062-00-1
Molecular Formula:
C9H6BrF3N2O3
Molecular Weight:
327.0547
MDL Number:
MFCD27946308
IUPAC Name:
N-[4-bromo-2-nitro-6-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C9H6BrF3N2O3/c1-4(16)14-8-6(9(11,12)13)2-5(10)3-7(8)15(17)18/h2-3H,1H3,(H,14,16)
InChI Key:
BBTWQPVLHGAKHG-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(cc(cc1C(F)(F)F)Br)[N+](=O)[O-]
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.951g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.057g/mol
Monoisotopic Mass:
325.951g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties