Home Other Building Blocks 3-{[4-(trifluoromethyl)phenyl]methyl}oxolan-3-amine hydrochloride

3-{[4-(trifluoromethyl)phenyl]methyl}oxolan-3-amine hydrochloride

CAS No.:
1803604-11-6
Catalog Number:
AG01BAJK
Molecular Formula:
C12H15ClF3NO
Molecular Weight:
281.7018
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Product Description
Catalog Number:
AG01BAJK
Chemical Name:
3-{[4-(trifluoromethyl)phenyl]methyl}oxolan-3-amine hydrochloride
CAS Number:
1803604-11-6
Molecular Formula:
C12H15ClF3NO
Molecular Weight:
281.7018
MDL Number:
MFCD28397669
IUPAC Name:
3-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine;hydrochloride
InChI:
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-9(2-4-10)7-11(16)5-6-17-8-11;/h1-4H,5-8,16H2;1H
InChI Key:
CJVAJJFUXSJCFG-UHFFFAOYSA-N
SMILES:
NC1(COCC1)Cc1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.079g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.703g/mol
Monoisotopic Mass:
281.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties