Home Halogens 2-bromo-3-nitrobenzyl acetate

2-bromo-3-nitrobenzyl acetate

CAS No.:
82617-50-3
Catalog Number:
AG01DIJ2
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
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Product Description
Catalog Number:
AG01DIJ2
Chemical Name:
2-bromo-3-nitrobenzyl acetate
CAS Number:
82617-50-3
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
IUPAC Name:
(2-bromo-3-nitrophenyl)methyl acetate
InChI:
InChI=1S/C9H8BrNO4/c1-6(12)15-5-7-3-2-4-8(9(7)10)11(13)14/h2-4H,5H2,1H3
InChI Key:
RHYFIMGPEOVKRO-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cccc(c1Br)[N+](=O)[O-]
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties