Home Amines 10068-52-7
10068-52-7,MFCD28369079
Catalog No.:AA0002JN
10068-52-7 | 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid
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100mg
97%
2 weeks  
$302.00   $212.00
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250mg
95%
2 weeks  
$387.00   $271.00
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1g
97%
2 weeks  
$901.00   $631.00
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5g
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$3,008.00   $2,106.00
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Technical Information
Catalog Number:
AA0002JN
Chemical Name:
2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid
CAS Number:
10068-52-7
Molecular Formula:
C11H10F3NO4
Molecular Weight:
277.1966
MDL Number:
MFCD28369079
IUPAC Name:
3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C11H10F3NO4/c12-11(13,14)8(9(16)17)15-10(18)19-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)
InChI Key:
JBNIYYRTJUAMKZ-UHFFFAOYSA-N
SMILES:
O=C(N[C@@H](C(F)(F)F)C(=O)O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.199g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
10068-52-7 
2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid 
DS-9301 
AK150829 
2-(Benzyloxycarbonylamino)-3,3,3-trifluoropropionic acid 
3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid 
2-(BENZYLOXYCARBONYLAMINO)-3,3,3-TRIFLUOROPROPANOIC ACID 
N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE 
2-{[(benzyloxy)carbonyl]amino}-3,3,3-trifluoropropanoic acid 
SCHEMBL758144 
CTK8G4155 
DTXSID20631451 
MFCD28369079 
AKOS022190136 
Literature
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