Home Halogens Ethyl 4-bromo-5-methyl-2-nitrobenzoate

Ethyl 4-bromo-5-methyl-2-nitrobenzoate

CAS No.:
1805600-33-2
Catalog Number:
AG00I04A
Molecular Formula:
C10H10BrNO4
Molecular Weight:
288.0947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$438
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Product Description
Catalog Number:
AG00I04A
Chemical Name:
Ethyl 4-bromo-5-methyl-2-nitrobenzoate
CAS Number:
1805600-33-2
Molecular Formula:
C10H10BrNO4
Molecular Weight:
288.0947
MDL Number:
MFCD28143922
IUPAC Name:
ethyl 4-bromo-5-methyl-2-nitrobenzoate
InChI:
InChI=1S/C10H10BrNO4/c1-3-16-10(13)7-4-6(2)8(11)5-9(7)12(14)15/h4-5H,3H2,1-2H3
InChI Key:
BSMHJEAUFMZNQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)C
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.979g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.097g/mol
Monoisotopic Mass:
286.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties