Home Other Building Blocks methyl 2,2-difluoro-2-(pyrimidin-5-yl)acetate

methyl 2,2-difluoro-2-(pyrimidin-5-yl)acetate

CAS No.:
1803581-68-1
Catalog Number:
AG01BHDE
Molecular Formula:
C7H6F2N2O2
Molecular Weight:
188.1315
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Product Description
Catalog Number:
AG01BHDE
Chemical Name:
methyl 2,2-difluoro-2-(pyrimidin-5-yl)acetate
CAS Number:
1803581-68-1
Molecular Formula:
C7H6F2N2O2
Molecular Weight:
188.1315
MDL Number:
MFCD28139600
IUPAC Name:
methyl 2,2-difluoro-2-pyrimidin-5-ylacetate
InChI:
InChI=1S/C7H6F2N2O2/c1-13-6(12)7(8,9)5-2-10-4-11-3-5/h2-4H,1H3
InChI Key:
NNMIIMRWDRSFRQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cncnc1)(F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.134g/mol
Monoisotopic Mass:
188.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties