Home Nitros Benzoic acid, 2-methyl-3-nitro-, ethyl ester

Benzoic acid, 2-methyl-3-nitro-, ethyl ester

CAS No.:
59382-60-4
Catalog Number:
AG00IAJR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00IAJR
Chemical Name:
Benzoic acid, 2-methyl-3-nitro-, ethyl ester
CAS Number:
59382-60-4
MDL Number:
MFCD07359723
IUPAC Name:
ethyl 2-methyl-3-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-3-15-10(12)8-5-4-6-9(7(8)2)11(13)14/h4-6H,3H2,1-2H3
InChI Key:
XINYBVBBEWUEPZ-UHFFFAOYSA-N
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties