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21105-77-1 | Benzene, 1,3-dichloro-5-(4-nitrophenoxy)-
CAS No: 21105-77-1 Catalog No: AG002L4Y MDL No:
Product Description
Catalog Number:
AG002L4Y
Chemical Name:
Benzene, 1,3-dichloro-5-(4-nitrophenoxy)-
CAS Number:
21105-77-1
Molecular Formula:
C12H7Cl2NO3
Molecular Weight:
284.0949
IUPAC Name:
1,3-dichloro-5-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C12H7Cl2NO3/c13-8-5-9(14)7-12(6-8)18-11-3-1-10(2-4-11)15(16)17/h1-7H
InChI Key:
KWZIXOIDCOTWKE-UHFFFAOYSA-N
SMILES:
Clc1cc(Oc2ccc(cc2)[N+](=O)[O-])cc(c1)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.98g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.092g/mol
Monoisotopic Mass:
282.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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