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Home > Nitro Compounds > 70599-84-7
70599-84-7 | Benzene, 1-(2-nitroethenyl)-3-phenoxy-
CAS No: 70599-84-7 Catalog No: AG005TRH MDL No:MFCD00176731
Product Description
Catalog Number:
AG005TRH
Chemical Name:
Benzene, 1-(2-nitroethenyl)-3-phenoxy-
CAS Number:
70599-84-7
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
MDL Number:
MFCD00176731
IUPAC Name:
1-(2-nitroethenyl)-3-phenoxybenzene
InChI:
InChI=1S/C14H11NO3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H
InChI Key:
HCABRSGOYONOEJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1cccc(c1)Oc1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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