Home Nitros methyl 2-iodo-5-methyl-3-nitrobenzoate

methyl 2-iodo-5-methyl-3-nitrobenzoate

CAS No.:
854645-22-0
Catalog Number:
AG019ZV1
Molecular Formula:
C9H8INO4
Molecular Weight:
321.0686
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019ZV1
Chemical Name:
methyl 2-iodo-5-methyl-3-nitrobenzoate
CAS Number:
854645-22-0
Molecular Formula:
C9H8INO4
Molecular Weight:
321.0686
MDL Number:
MFCD22378596
IUPAC Name:
methyl 2-iodo-5-methyl-3-nitrobenzoate
InChI:
InChI=1S/C9H8INO4/c1-5-3-6(9(12)15-2)8(10)7(4-5)11(13)14/h3-4H,1-2H3
InChI Key:
ZDMNZQRGKMTCGZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cc(c1I)[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:
320.95g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.07g/mol
Monoisotopic Mass:
320.95g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties