Home Aminos Methyl 4-amino-3-(trifluoromethoxy)benzoate

Methyl 4-amino-3-(trifluoromethoxy)benzoate

CAS No.:
457097-93-7
Catalog Number:
AG00I8J7
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
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Product Description
Catalog Number:
AG00I8J7
Chemical Name:
Methyl 4-amino-3-(trifluoromethoxy)benzoate
CAS Number:
457097-93-7
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD15527567
IUPAC Name:
methyl 4-amino-3-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C9H8F3NO3/c1-15-8(14)5-2-3-6(13)7(4-5)16-9(10,11)12/h2-4H,13H2,1H3
InChI Key:
VOZICRAZVBGCNM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)OC(F)(F)F)N
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties