Home Nitros 2-Bromo-1-(4-methyl-3-nitro-phenyl)-ethanone

2-Bromo-1-(4-methyl-3-nitro-phenyl)-ethanone

CAS No.:
22019-50-7
Catalog Number:
AG00C149
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$325
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Product Description
Catalog Number:
AG00C149
Chemical Name:
2-Bromo-1-(4-methyl-3-nitro-phenyl)-ethanone
CAS Number:
22019-50-7
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD03964203
IUPAC Name:
2-bromo-1-(4-methyl-3-nitrophenyl)ethanone
InChI:
InChI=1S/C9H8BrNO3/c1-6-2-3-7(9(12)5-10)4-8(6)11(13)14/h2-4H,5H2,1H3
InChI Key:
DBMCVOBHUPAOMT-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties