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850094-30-3 | 1,3,5-Triazine, 2-(chlorodinitromethyl)-4-methoxy-6-(1-piperidinyl)-
CAS No: 850094-30-3 Catalog No: AG004TEG MDL No:
Product Description
Catalog Number:
AG004TEG
Chemical Name:
1,3,5-Triazine, 2-(chlorodinitromethyl)-4-methoxy-6-(1-piperidinyl)-
CAS Number:
850094-30-3
Molecular Formula:
C10H13ClN6O5
Molecular Weight:
332.7004
IUPAC Name:
2-[chloro(dinitro)methyl]-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
InChI:
InChI=1S/C10H13ClN6O5/c1-22-9-13-7(10(11,16(18)19)17(20)21)12-8(14-9)15-5-3-2-4-6-15/h2-6H2,1H3
InChI Key:
ZKUACIFXDIQTPJ-UHFFFAOYSA-N
SMILES:
COc1nc(nc(n1)C([N+](=O)[O-])([N+](=O)[O-])Cl)N1CCCCC1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.701g/mol
Monoisotopic Mass:
332.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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