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Home > Nitro Compounds > 312309-39-0
312309-39-0 | methyl 5-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]-2-furoate
CAS No: 312309-39-0 Catalog No: AG00JG52 MDL No:MFCD01853272
Product Description
Catalog Number:
AG00JG52
Chemical Name:
methyl 5-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]-2-furoate
CAS Number:
312309-39-0
Molecular Formula:
C11H10N4O7
Molecular Weight:
310.2197
MDL Number:
MFCD01853272
IUPAC Name:
methyl 5-[(5-methyl-3,4-dinitropyrazol-1-yl)methyl]furan-2-carboxylate
InChI:
InChI=1S/C11H10N4O7/c1-6-9(14(17)18)10(15(19)20)12-13(6)5-7-3-4-8(22-7)11(16)21-2/h3-4H,5H2,1-2H3
InChI Key:
WLKCQIOANLAAOA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)Cn1nc(c(c1C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.055g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.222g/mol
Monoisotopic Mass:
310.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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