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Home > Nitro Compounds > 1227157-65-4
1227157-65-4 | Benzoic acid, 3-methoxy-5-nitro-, ethyl ester
CAS No: 1227157-65-4 Catalog No: AG000J1I MDL No:
Product Description
Catalog Number:
AG000J1I
Chemical Name:
Benzoic acid, 3-methoxy-5-nitro-, ethyl ester
CAS Number:
1227157-65-4
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
ethyl 3-methoxy-5-nitrobenzoate
InChI:
InChI=1S/C10H11NO5/c1-3-16-10(12)7-4-8(11(13)14)6-9(5-7)15-2/h4-6H,3H2,1-2H3
InChI Key:
CBICIWBUDRQIBK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OC)cc(c1)[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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