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Home > Nitro Compounds > 17414-84-5
17414-84-5 | Benzene, 1-nitro-3-(phenoxymethyl)-
CAS No: 17414-84-5 Catalog No: AG001ZH8 MDL No:
Product Description
Catalog Number:
AG001ZH8
Chemical Name:
Benzene, 1-nitro-3-(phenoxymethyl)-
CAS Number:
17414-84-5
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
1-nitro-3-(phenoxymethyl)benzene
InChI:
InChI=1S/C13H11NO3/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2
InChI Key:
ORJQWKOJUWLJOC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)COc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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