Home Other Building Blocks Propanoic acid, 2-diazo-3,3,3-trifluoro-, methyl ester

Propanoic acid, 2-diazo-3,3,3-trifluoro-, methyl ester

CAS No.:
173558-71-9
Catalog Number:
AG001Z0H
Molecular Formula:
C4H3F3N2O2
Molecular Weight:
168.0740
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$309
- +
1g
1 week
United States
$578
- +
Product Description
Catalog Number:
AG001Z0H
Chemical Name:
Propanoic acid, 2-diazo-3,3,3-trifluoro-, methyl ester
CAS Number:
173558-71-9
Molecular Formula:
C4H3F3N2O2
Molecular Weight:
168.0740
MDL Number:
MFCD05664161
IUPAC Name:
methyl 2-diazo-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C4H3F3N2O2/c1-11-3(10)2(9-8)4(5,6)7/h1H3
InChI Key:
CRPRBPSWJPEAMC-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(F)(F)F)C(=O)OC
NSC Number:
225335
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.075g/mol
Monoisotopic Mass:
168.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  
Literature
Title Journal
High diastereoselectivity in intermolecular carbonyl ylide cycloaddition with aryl aldehyde using methyl diazo(trifluoromethyl)acetate. Organic letters 20020725
Properties