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Home > Nitro Compounds > 2881-72-3
2881-72-3 | 1H-Pyrrole, 2,4-dinitro-1-propyl-
CAS No: 2881-72-3 Catalog No: AG002WLH MDL No:
Product Description
Catalog Number:
AG002WLH
Chemical Name:
1H-Pyrrole, 2,4-dinitro-1-propyl-
CAS Number:
2881-72-3
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
IUPAC Name:
2,4-dinitro-1-propylpyrrole
InChI:
InChI=1S/C7H9N3O4/c1-2-3-8-5-6(9(11)12)4-7(8)10(13)14/h4-5H,2-3H2,1H3
InChI Key:
GCWXQCBYHWIPQD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cn1CCC)[N+](=O)[O-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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