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Home > Nitro Compounds > 415931-07-6
415931-07-6 | Pyrrolidine, 1-[(3-nitrophenyl)methyl]-
CAS No: 415931-07-6 Catalog No: AG00I84F MDL No:
Product Description
Catalog Number:
AG00I84F
Chemical Name:
Pyrrolidine, 1-[(3-nitrophenyl)methyl]-
CAS Number:
415931-07-6
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
1-[(3-nitrophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14N2O2/c14-13(15)11-5-3-4-10(8-11)9-12-6-1-2-7-12/h3-5,8H,1-2,6-7,9H2
InChI Key:
YLQHNPWMFVKRHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CN1CCCC1
Properties
Complexity:
221
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:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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