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156578-95-9 | Benzoic acid, 3-(2-chloroethoxy)-4-nitro-, methyl ester
CAS No: 156578-95-9 Catalog No: AG001OSX MDL No:
Product Description
Catalog Number:
AG001OSX
Chemical Name:
Benzoic acid, 3-(2-chloroethoxy)-4-nitro-, methyl ester
CAS Number:
156578-95-9
Molecular Formula:
C10H10ClNO5
Molecular Weight:
259.6431
IUPAC Name:
methyl 3-(2-chloroethoxy)-4-nitrobenzoate
InChI:
InChI=1S/C10H10ClNO5/c1-16-10(13)7-2-3-8(12(14)15)9(6-7)17-5-4-11/h2-3,6H,4-5H2,1H3
InChI Key:
GZSMHXDXVLZTOO-UHFFFAOYSA-N
SMILES:
ClCCOc1cc(ccc1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.642g/mol
Monoisotopic Mass:
259.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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