Home Nitros Methyl 2-fluoro-5-methyl-3-nitrobenzoate

Methyl 2-fluoro-5-methyl-3-nitrobenzoate

CAS No.:
1365988-42-6
Catalog Number:
AG01EN5F
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
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Product Description
Catalog Number:
AG01EN5F
Chemical Name:
Methyl 2-fluoro-5-methyl-3-nitrobenzoate
CAS Number:
1365988-42-6
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
MDL Number:
MFCD21602135
IUPAC Name:
methyl 2-fluoro-5-methyl-3-nitrobenzoate
InChI:
InChI=1S/C9H8FNO4/c1-5-3-6(9(12)15-2)8(10)7(4-5)11(13)14/h3-4H,1-2H3
InChI Key:
QHDPTYXYSHUKEV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cc(c1F)[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:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.164g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties