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Home > Nitro Compounds > 14227-14-6
14227-14-6 | Benzene, 1,2,4-trimethoxy-5-nitro-
CAS No: 14227-14-6 Catalog No: AG001I3F MDL No:
Product Description
Catalog Number:
AG001I3F
Chemical Name:
Benzene, 1,2,4-trimethoxy-5-nitro-
CAS Number:
14227-14-6
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
IUPAC Name:
1,2,4-trimethoxy-5-nitrobenzene
InChI:
InChI=1S/C9H11NO5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3
InChI Key:
SXVFZZZETDRISD-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)OC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.189g/mol
Monoisotopic Mass:
213.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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