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Home > Nitro Compounds > 20627-73-0
20627-73-0 | Benzene, 1-(dimethoxymethyl)-2-nitro-
CAS No: 20627-73-0 Catalog No: AG002IEX MDL No:
Product Description
Catalog Number:
AG002IEX
Chemical Name:
Benzene, 1-(dimethoxymethyl)-2-nitro-
CAS Number:
20627-73-0
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
1-(dimethoxymethyl)-2-nitrobenzene
InChI:
InChI=1S/C9H11NO4/c1-13-9(14-2)7-5-3-4-6-8(7)10(11)12/h3-6,9H,1-2H3
InChI Key:
OAPZTGKQZKPVPF-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1[N+](=O)[O-])OC
Properties
Complexity:
188
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:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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