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Home > Nitro Compounds > 1429418-86-9
1429418-86-9 | 1-ISOPROPYL-3,4-DINITRO-1H-PYRAZOLE
CAS No: 1429418-86-9 Catalog No: AG01AOQF MDL No:MFCD25371344
Product Description
Catalog Number:
AG01AOQF
Chemical Name:
1-ISOPROPYL-3,4-DINITRO-1H-PYRAZOLE
CAS Number:
1429418-86-9
Molecular Formula:
C6H8N4O4
Molecular Weight:
200.1521
MDL Number:
MFCD25371344
IUPAC Name:
3,4-dinitro-1-propan-2-ylpyrazole
InChI:
InChI=1S/C6H8N4O4/c1-4(2)8-3-5(9(11)12)6(7-8)10(13)14/h3-4H,1-2H3
InChI Key:
ZZQMGABXCQYGSM-UHFFFAOYSA-N
SMILES:
CC(n1cc(c(n1)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.154g/mol
Monoisotopic Mass:
200.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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