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Home > Nitro Compounds > 67828-57-3
67828-57-3 | 1-(2-Methoxy-4-nitrophenyl)pyrrolidine
CAS No: 67828-57-3 Catalog No: AG003CUW MDL No:MFCD00096778
Product Description
Catalog Number:
AG003CUW
Chemical Name:
1-(2-Methoxy-4-nitrophenyl)pyrrolidine
CAS Number:
67828-57-3
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00096778
IUPAC Name:
1-(2-methoxy-4-nitrophenyl)pyrrolidine
InChI:
InChI=1S/C11H14N2O3/c1-16-11-8-9(13(14)15)4-5-10(11)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
ULBJILHSWMGASA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N1CCCC1)[N+](=O)[O-]
EC Number:
267-278-5
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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