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113699-35-7

113699-35-7 | 3-Pyridinamine, 2-chloro-N-[2-(1,1-dimethylethyl)-4,6-dinitrophenyl]-

CAS No: 113699-35-7 Catalog No: AG0009CT MDL No:

Product Description

Catalog Number:
AG0009CT
Chemical Name:
3-Pyridinamine, 2-chloro-N-[2-(1,1-dimethylethyl)-4,6-dinitrophenyl]-
CAS Number:
113699-35-7
Molecular Formula:
C15H15ClN4O4
Molecular Weight:
350.7570
IUPAC Name:
N-(2-tert-butyl-4,6-dinitrophenyl)-2-chloropyridin-3-amine
InChI:
InChI=1S/C15H15ClN4O4/c1-15(2,3)10-7-9(19(21)22)8-12(20(23)24)13(10)18-11-5-4-6-17-14(11)16/h4-8,18H,1-3H3
InChI Key:
KOWVTVPXOSFJAA-UHFFFAOYSA-N
SMILES:
Clc1ncccc1Nc1c(cc(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.078g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.759g/mol
Monoisotopic Mass:
350.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

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