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235088-69-4

235088-69-4 | Benzenemethanamine, 3,4,5-trifluoro-

CAS No: 235088-69-4 Catalog No: AG002NFT MDL No:MFCD00236318

Product Description

Catalog Number:
AG002NFT
Chemical Name:
Benzenemethanamine, 3,4,5-trifluoro-
CAS Number:
235088-69-4
Molecular Formula:
C7H6F3N
Molecular Weight:
161.1244
MDL Number:
MFCD00236318
IUPAC Name:
(3,4,5-trifluorophenyl)methanamine
InChI:
InChI=1S/C7H6F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
InChI Key:
AJGBQAAXUVSBCH-UHFFFAOYSA-N
SMILES:
NCc1cc(F)c(c(c1)F)F

Properties

Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.127g/mol
Monoisotopic Mass:
161.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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