Home Halogens methyl 4-chloro-3-methyl-5-nitrobenzoate

methyl 4-chloro-3-methyl-5-nitrobenzoate

CAS No.:
1567015-18-2
Catalog Number:
AG01DVP5
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
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Product Description
Catalog Number:
AG01DVP5
Chemical Name:
methyl 4-chloro-3-methyl-5-nitrobenzoate
CAS Number:
1567015-18-2
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD26856632
IUPAC Name:
methyl 4-chloro-3-methyl-5-nitrobenzoate
InChI:
InChI=1S/C9H8ClNO4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,1-2H3
InChI Key:
SOZUENKOINTEGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/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