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Home Nitros 2-Bromo-3'-nitroacetophenone

2-Bromo-3'-nitroacetophenone

CAS No.:
2227-64-7
Catalog Number:
AG00BBLG
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$24
- +
25g
98%
In Stock USA
United States
$69
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00BBLG
Chemical Name:
2-Bromo-3'-nitroacetophenone
CAS Number:
2227-64-7
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
MDL Number:
MFCD00024512
IUPAC Name:
2-bromo-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2
InChI Key:
GZHPNIQBPGUSSX-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)[N+](=O)[O-]
EC Number:
218-764-0
NSC Number:
69855
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
2-Bromo-1-(3-nitro-phen-yl)ethanone. Acta crystallographica. Section E, Structure reports online 20110101
Properties