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Home > Nitro Compounds > 881-67-4
881-67-4 | Benzene, 1-(dimethoxymethyl)-4-nitro-
CAS No: 881-67-4 Catalog No: AG004DB5 MDL No:
Product Description
Catalog Number:
AG004DB5
Chemical Name:
Benzene, 1-(dimethoxymethyl)-4-nitro-
CAS Number:
881-67-4
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
1-(dimethoxymethyl)-4-nitrobenzene
InChI:
InChI=1S/C9H11NO4/c1-13-9(14-2)7-3-5-8(6-4-7)10(11)12/h3-6,9H,1-2H3
InChI Key:
MFVJTNDASLLDEF-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)[N+](=O)[O-])OC
Properties
Complexity:
180
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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