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Home > Nitro Compounds > 753031-05-9
753031-05-9 | Benzene, 1-ethenyl-2-(1-methylethoxy)-3-nitro-
CAS No: 753031-05-9 Catalog No: AG005CL2 MDL No:
Product Description
Catalog Number:
AG005CL2
Chemical Name:
Benzene, 1-ethenyl-2-(1-methylethoxy)-3-nitro-
CAS Number:
753031-05-9
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
1-ethenyl-3-nitro-2-propan-2-yloxybenzene
InChI:
InChI=1S/C11H13NO3/c1-4-9-6-5-7-10(12(13)14)11(9)15-8(2)3/h4-8H,1H2,2-3H3
InChI Key:
DQYDKHMDIKOYDU-UHFFFAOYSA-N
SMILES:
C=Cc1cccc(c1OC(C)C)[N+](=O)[O-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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