Home Carboxys methyl 2-(difluoromethyl)-1,3-oxazole-4-carboxylate

methyl 2-(difluoromethyl)-1,3-oxazole-4-carboxylate

CAS No.:
1627894-72-7
Catalog Number:
AG01EIMW
Molecular Formula:
C6H5F2NO3
Molecular Weight:
177.1056
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Product Description
Catalog Number:
AG01EIMW
Chemical Name:
methyl 2-(difluoromethyl)-1,3-oxazole-4-carboxylate
CAS Number:
1627894-72-7
Molecular Formula:
C6H5F2NO3
Molecular Weight:
177.1056
MDL Number:
MFCD31667778
IUPAC Name:
methyl 2-(difluoromethyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C6H5F2NO3/c1-11-6(10)3-2-12-5(9-3)4(7)8/h2,4H,1H3
InChI Key:
OOUMYYCQUBXUDD-UHFFFAOYSA-N
SMILES:
COC(=O)c1coc(n1)C(F)F
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.107g/mol
Monoisotopic Mass:
177.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties