Home Other Building Blocks 1-[3-Nitro-5-(trifluoromethyl)phenyl]ethylamine

1-[3-Nitro-5-(trifluoromethyl)phenyl]ethylamine

CAS No.:
1270542-79-4
Catalog Number:
AG01FFXB
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
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Product Description
Catalog Number:
AG01FFXB
Chemical Name:
1-[3-Nitro-5-(trifluoromethyl)phenyl]ethylamine
CAS Number:
1270542-79-4
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
MDL Number:
MFCD18709759
IUPAC Name:
1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine
InChI:
InChI=1S/C9H9F3N2O2/c1-5(13)6-2-7(9(10,11)12)4-8(3-6)14(15)16/h2-5H,13H2,1H3
InChI Key:
RZBQSBXQOWBINI-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-])N
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.178g/mol
Monoisotopic Mass:
234.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties