Home Other Building Blocks 3-{[3-(trifluoromethyl)phenyl]methyl}azetidine hydrochloride

3-{[3-(trifluoromethyl)phenyl]methyl}azetidine hydrochloride

CAS No.:
1181458-23-0
Catalog Number:
AG019VAJ
Molecular Formula:
C11H13ClF3N
Molecular Weight:
251.6758
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Product Description
Catalog Number:
AG019VAJ
Chemical Name:
3-{[3-(trifluoromethyl)phenyl]methyl}azetidine hydrochloride
CAS Number:
1181458-23-0
Molecular Formula:
C11H13ClF3N
Molecular Weight:
251.6758
MDL Number:
MFCD12197096
IUPAC Name:
3-[[3-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
InChI:
InChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-2-8(5-10)4-9-6-15-7-9;/h1-3,5,9,15H,4,6-7H2;1H
InChI Key:
BSXVAANDDFNBOL-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)CC1CNC1)(F)F.Cl
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.677g/mol
Monoisotopic Mass:
251.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties