Home Halogens Methyl 3-bromo-2-methyl-5-nitrobenzoate

Methyl 3-bromo-2-methyl-5-nitrobenzoate

CAS No.:
885519-05-1
Catalog Number:
AG00H01T
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$163
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Product Description
Catalog Number:
AG00H01T
Chemical Name:
Methyl 3-bromo-2-methyl-5-nitrobenzoate
CAS Number:
885519-05-1
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD08273772
IUPAC Name:
methyl 3-bromo-2-methyl-5-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3
InChI Key:
KHYSOGYKNCNXIS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1C)Br)[N+](=O)[O-]
Properties
Complexity:
265  
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:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties