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Home > Nitro Compounds > 67828-58-4
67828-58-4 | 1-(2-Methyl-4-nitrophenyl)pyrrolidine
CAS No: 67828-58-4 Catalog No: AG00F9X4 MDL No:MFCD00071606
Product Description
Catalog Number:
AG00F9X4
Chemical Name:
1-(2-Methyl-4-nitrophenyl)pyrrolidine
CAS Number:
67828-58-4
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD00071606
IUPAC Name:
1-(2-methyl-4-nitrophenyl)pyrrolidine
InChI:
InChI=1S/C11H14N2O2/c1-9-8-10(13(14)15)4-5-11(9)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
GUZLPJVFYLEHSV-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1N1CCCC1)[N+](=O)[O-]
EC Number:
267-279-0
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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