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1000198-80-0

1000198-80-0 | Pyrrolidine, 3-[(3-fluorophenyl)methyl]-

CAS No: 1000198-80-0 Catalog No: AG0000AU MDL No:

Product Description

Catalog Number:
AG0000AU
Chemical Name:
Pyrrolidine, 3-[(3-fluorophenyl)methyl]-
CAS Number:
1000198-80-0
Molecular Formula:
C11H14FN
Molecular Weight:
179.2340
IUPAC Name:
3-[(3-fluorophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14FN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2
InChI Key:
NCVRSFIRKVTHDU-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CC1CNCC1

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.111g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.238g/mol
Monoisotopic Mass:
179.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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