Home Halogens (S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate

(S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate

CAS No.:
105189-44-4
Catalog Number:
AG008V3U
Molecular Formula:
C12H10Br2F3NO4
Molecular Weight:
449.0153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$189
- +
250mg
95%
In Stock USA
United States
$357
- +
1g
95%
In Stock USA
United States
$735
- +
5g
95%
In Stock USA
United States
$2205
- +
Product Description
Catalog Number:
AG008V3U
Chemical Name:
(S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
CAS Number:
105189-44-4
Molecular Formula:
C12H10Br2F3NO4
Molecular Weight:
449.0153
MDL Number:
MFCD01571092
IUPAC Name:
methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
InChI:
InChI=1S/C12H10Br2F3NO4/c1-22-10(20)8(18-11(21)12(15,16)17)4-5-2-6(13)9(19)7(14)3-5/h2-3,8,19H,4H2,1H3,(H,18,21)
InChI Key:
UXZAEOXFCAKKTD-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1cc(Br)c(c(c1)Br)O)NC(=O)C(F)(F)F
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.891g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
449.018g/mol
Monoisotopic Mass:
446.893g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties