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1171870-80-6 | 1-(Methoxymethyl)-4-methyl-3,5-dinitro-1H-pyrazole
CAS No: 1171870-80-6 Catalog No: AG00HDU4 MDL No:
Product Description
Catalog Number:
AG00HDU4
Chemical Name:
1-(Methoxymethyl)-4-methyl-3,5-dinitro-1H-pyrazole
CAS Number:
1171870-80-6
IUPAC Name:
1-(methoxymethyl)-4-methyl-3,5-dinitropyrazole
InChI:
InChI=1S/C6H8N4O5/c1-4-5(9(11)12)7-8(3-15-2)6(4)10(13)14/h3H2,1-2H3
InChI Key:
GHESLFLQVFHCBO-UHFFFAOYSA-N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.153g/mol
Monoisotopic Mass:
216.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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