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Home > Nitro Compounds > 20323-91-5
20323-91-5 | Pyrrolidine, 1-methyl-2-phenyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 20323-91-5 Catalog No: AG0028RL MDL No:
Product Description
Catalog Number:
AG0028RL
Chemical Name:
Pyrrolidine, 1-methyl-2-phenyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
20323-91-5
Molecular Formula:
C17H18N4O7
Molecular Weight:
390.3474
IUPAC Name:
1-methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C11H15N.C6H3N3O7/c1-12-9-5-8-11(12)10-6-3-2-4-7-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-4,6-7,11H,5,8-9H2,1H3;1-2,10H
InChI Key:
LTVMRNJKIJVQCD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CN1CCCC1c1ccccc1
NSC Number:
141219
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.118g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.352g/mol
Monoisotopic Mass:
390.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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