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7511-33-3

7511-33-3 | 4-chloro-2-nitro-6-[2,2,2-trichloro-1-(5-chloro-2-hydroxy-3-nitro-phenyl)ethyl]phenol

CAS No: 7511-33-3 Catalog No: AG005ECA MDL No:

Product Description

Catalog Number:
AG005ECA
Chemical Name:
4-chloro-2-nitro-6-[2,2,2-trichloro-1-(5-chloro-2-hydroxy-3-nitro-phenyl)ethyl]phenol
CAS Number:
7511-33-3
Molecular Formula:
C14H7Cl5N2O6
Molecular Weight:
476.4802
IUPAC Name:
4-chloro-2-nitro-6-[2,2,2-trichloro-1-(5-chloro-2-hydroxy-3-nitrophenyl)ethyl]phenol
InChI:
InChI=1S/C14H7Cl5N2O6/c15-5-1-7(12(22)9(3-5)20(24)25)11(14(17,18)19)8-2-6(16)4-10(13(8)23)21(26)27/h1-4,11,22-23H
InChI Key:
FFTXURLSKUFFGG-UHFFFAOYSA-N
SMILES:
Clc1cc(c(c(c1)[N+](=O)[O-])O)C(C(Cl)(Cl)Cl)c1cc(Cl)cc(c1O)[N+](=O)[O-]
NSC Number:
406952

Properties

Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.872g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
476.468g/mol
Monoisotopic Mass:
473.875g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  

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