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Home > Nitro Compounds > 139884-17-6
139884-17-6 | Benzene, 1-[(methoxymethoxy)methyl]-4-nitro-
CAS No: 139884-17-6 Catalog No: AG001BR6 MDL No:
Product Description
Catalog Number:
AG001BR6
Chemical Name:
Benzene, 1-[(methoxymethoxy)methyl]-4-nitro-
CAS Number:
139884-17-6
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
1-(methoxymethoxymethyl)-4-nitrobenzene
InChI:
InChI=1S/C9H11NO4/c1-13-7-14-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3
InChI Key:
WDAZNWDQLWNNKJ-UHFFFAOYSA-N
SMILES:
COCOCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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