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101488-60-2

101488-60-2 | Benzenepropanamine, 4-(trifluoromethyl)-

CAS No: 101488-60-2 Catalog No: AG0004LO MDL No:MFCD07374085

Product Description

Catalog Number:
AG0004LO
Chemical Name:
Benzenepropanamine, 4-(trifluoromethyl)-
CAS Number:
101488-60-2
Molecular Formula:
C10H12F3N
Molecular Weight:
203.2042
MDL Number:
MFCD07374085
IUPAC Name:
3-[4-(trifluoromethyl)phenyl]propan-1-amine
InChI:
InChI=1S/C10H12F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChI Key:
OHYSYTVKICEPLQ-UHFFFAOYSA-N
SMILES:
NCCCc1ccc(cc1)C(F)(F)F

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.092g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.208g/mol
Monoisotopic Mass:
203.092g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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