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Home > Nitro Compounds > 100780-36-7
100780-36-7 | Benzene, 1-[(1E)-2-nitro-1-propen-1-yl]-4-(phenylmethoxy)-
CAS No: 100780-36-7 Catalog No: AG0002V8 MDL No:
Product Description
Catalog Number:
AG0002V8
Chemical Name:
Benzene, 1-[(1E)-2-nitro-1-propen-1-yl]-4-(phenylmethoxy)-
CAS Number:
100780-36-7
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
1-(2-nitroprop-1-enyl)-4-phenylmethoxybenzene
InChI:
InChI=1S/C16H15NO3/c1-13(17(18)19)11-14-7-9-16(10-8-14)20-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3
InChI Key:
ZGYOAKJRIOGEBC-UHFFFAOYSA-N
SMILES:
C/C(=C\c1ccc(cc1)OCc1ccccc1)/[N+](=O)[O-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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