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Home > Nitro Compounds > 865775-40-2
865775-40-2 | 1H-PYRROLE, 2-[2-NITRO-1-(NITROMETHYL)ETHYL]-
CAS No: 865775-40-2 Catalog No: AG004LF4 MDL No:
Product Description
Catalog Number:
AG004LF4
Chemical Name:
1H-PYRROLE, 2-[2-NITRO-1-(NITROMETHYL)ETHYL]-
CAS Number:
865775-40-2
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
IUPAC Name:
2-(1,3-dinitropropan-2-yl)-1H-pyrrole
InChI:
InChI=1S/C7H9N3O4/c11-9(12)4-6(5-10(13)14)7-2-1-3-8-7/h1-3,6,8H,4-5H2
InChI Key:
XAIBCSCBHJCZED-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1ccc[nH]1)C[N+](=O)[O-]
Properties
Complexity:
206
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:
1
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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