Home Halogens Benzene, 1,3,5-trichloro-2-(4-nitrophenoxy)-

Benzene, 1,3,5-trichloro-2-(4-nitrophenoxy)-

CAS No.:
1836-77-7
Catalog Number:
AG0027QG
Molecular Formula:
C12H6Cl3NO3
Molecular Weight:
318.5399
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Product Description
Catalog Number:
AG0027QG
Chemical Name:
Benzene, 1,3,5-trichloro-2-(4-nitrophenoxy)-
CAS Number:
1836-77-7
Molecular Formula:
C12H6Cl3NO3
Molecular Weight:
318.5399
MDL Number:
MFCD00210255
IUPAC Name:
1,3,5-trichloro-2-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H
InChI Key:
XQNAUQUKWRBODG-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl
EC Number:
217-407-6
UNII:
1NMN2MY1CW
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.941g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.534g/mol
Monoisotopic Mass:
316.941g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
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