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Home > Nitro Compounds > 2109-72-0
2109-72-0 | Benzene, 1-(1,1-dimethylethoxy)-4-nitro-
CAS No: 2109-72-0 Catalog No: AG002L2G MDL No:MFCD03094683
Product Description
Catalog Number:
AG002L2G
Chemical Name:
Benzene, 1-(1,1-dimethylethoxy)-4-nitro-
CAS Number:
2109-72-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD03094683
IUPAC Name:
1-[(2-methylpropan-2-yl)oxy]-4-nitrobenzene
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7H,1-3H3
InChI Key:
WQGIOEFHXBODQW-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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