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Home > Nitro Compounds > 63549-41-7
63549-41-7 | 3-Methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5-ol nitrate
CAS No: 63549-41-7 Catalog No: AG00F63L MDL No:
Product Description
Catalog Number:
AG00F63L
Chemical Name:
3-Methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5-ol nitrate
CAS Number:
63549-41-7
IUPAC Name:
[5-methyl-4-nitro-2-(4-nitrophenyl)pyrazol-3-yl] nitrate
InChI:
InChI=1S/C10H7N5O7/c1-6-9(14(18)19)10(22-15(20)21)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5H,1H3
InChI Key:
LQHMXUYVPJEXGQ-UHFFFAOYSA-N
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.035g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.194g/mol
Monoisotopic Mass:
309.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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