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Home > Nitro Compounds > 13324-13-5
13324-13-5 | Benzoic acid, 4-methoxy-2-nitro-, ethyl ester
CAS No: 13324-13-5 Catalog No: AG0014GB MDL No:MFCD01464075
Product Description
Catalog Number:
AG0014GB
Chemical Name:
Benzoic acid, 4-methoxy-2-nitro-, ethyl ester
CAS Number:
13324-13-5
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD01464075
IUPAC Name:
ethyl 4-methoxy-2-nitrobenzoate
InChI:
InChI=1S/C10H11NO5/c1-3-16-10(12)8-5-4-7(15-2)6-9(8)11(13)14/h4-6H,3H2,1-2H3
InChI Key:
XGOZJLFMEMBMRT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1[N+](=O)[O-])OC
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:
2.1
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