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2050-19-3 | 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-diethyl ester
CAS No: 2050-19-3 Catalog No: AG0029S0 MDL No:
Product Description
Catalog Number:
AG0029S0
Chemical Name:
1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-diethyl ester
CAS Number:
2050-19-3
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
IUPAC Name:
diethyl 4-nitrobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C12H13NO6/c1-3-18-11(14)9-6-5-8(13(16)17)7-10(9)12(15)19-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
PHULZILVTOTTJK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(ccc1C(=O)OCC)[N+](=O)[O-]
NSC Number:
97251
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.237g/mol
Monoisotopic Mass:
267.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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