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Home > Nitro Compounds > 10156-63-5
10156-63-5 | 1-(4-methyl-2,6-dinitrophenyl)pyrrolidine
CAS No: 10156-63-5 Catalog No: AG00IX40 MDL No:MFCD00588060
Product Description
Catalog Number:
AG00IX40
Chemical Name:
1-(4-methyl-2,6-dinitrophenyl)pyrrolidine
CAS Number:
10156-63-5
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD00588060
IUPAC Name:
1-(4-methyl-2,6-dinitrophenyl)pyrrolidine
InChI:
InChI=1S/C11H13N3O4/c1-8-6-9(13(15)16)11(10(7-8)14(17)18)12-4-2-3-5-12/h6-7H,2-5H2,1H3
InChI Key:
VQGQQGHLIBHAHP-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])N1CCCC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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