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124041-03-8 | Pyrimidine, 4-chloro-6-(4-nitrophenoxy)-
CAS No: 124041-03-8 Catalog No: AG000LG0 MDL No:
Product Description
Catalog Number:
AG000LG0
Chemical Name:
Pyrimidine, 4-chloro-6-(4-nitrophenoxy)-
CAS Number:
124041-03-8
Molecular Formula:
C10H6ClN3O3
Molecular Weight:
251.6259
IUPAC Name:
4-chloro-6-(4-nitrophenoxy)pyrimidine
InChI:
InChI=1S/C10H6ClN3O3/c11-9-5-10(13-6-12-9)17-8-3-1-7(2-4-8)14(15)16/h1-6H
InChI Key:
TZXIWIUCQFFQDT-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.626g/mol
Monoisotopic Mass:
251.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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