Home Nitros (3S)-1-[(3-nitrophenyl)methyl]pyrrolidin-3-ol

(3S)-1-[(3-nitrophenyl)methyl]pyrrolidin-3-ol

CAS No.:
1568191-65-0
Catalog Number:
AG01BCO5
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
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Product Description
Catalog Number:
AG01BCO5
Chemical Name:
(3S)-1-[(3-nitrophenyl)methyl]pyrrolidin-3-ol
CAS Number:
1568191-65-0
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD21645678
IUPAC Name:
1-[(3-nitrophenyl)methyl]pyrrolidin-3-ol
InChI:
InChI=1S/C11H14N2O3/c14-11-4-5-12(8-11)7-9-2-1-3-10(6-9)13(15)16/h1-3,6,11,14H,4-5,7-8H2
InChI Key:
LKEWGWDXLPFRKT-UHFFFAOYSA-N
SMILES:
O[C@H]1CCN(C1)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
254  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties