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75151-89-2 | 2-chloro-4-nitro-1-(3-nitrophenoxy)benzene
CAS No: 75151-89-2 Catalog No: AG005E2W MDL No:
Product Description
Catalog Number:
AG005E2W
Chemical Name:
2-chloro-4-nitro-1-(3-nitrophenoxy)benzene
CAS Number:
75151-89-2
Molecular Formula:
C12H7ClN2O5
Molecular Weight:
294.6474
IUPAC Name:
2-chloro-4-nitro-1-(3-nitrophenoxy)benzene
InChI:
InChI=1S/C12H7ClN2O5/c13-11-7-9(15(18)19)4-5-12(11)20-10-3-1-2-8(6-10)14(16)17/h1-7H
InChI Key:
XSEMUKMNZACXOL-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Oc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
121893
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.004g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.647g/mol
Monoisotopic Mass:
294.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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