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1552-17-6 | Benzenamine, 2-nitro-5-phenoxy-
CAS No: 1552-17-6 Catalog No: AG001NQ0 MDL No:MFCD03788969
Product Description
Catalog Number:
AG001NQ0
Chemical Name:
Benzenamine, 2-nitro-5-phenoxy-
CAS Number:
1552-17-6
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD03788969
IUPAC Name:
2-nitro-5-phenoxyaniline
InChI:
InChI=1S/C12H10N2O3/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h1-8H,13H2
InChI Key:
DYTVCSKPYOHQAE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1N)Oc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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