Home Nitriles 4-(2-Fluoropropan-2-yl)pyrimidine-5-carbonitrile

4-(2-Fluoropropan-2-yl)pyrimidine-5-carbonitrile

CAS No.:
1427195-26-3
Catalog Number:
AG003JZO
Molecular Formula:
C8H8FN3
Molecular Weight:
165.1676
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Product Description
Catalog Number:
AG003JZO
Chemical Name:
4-(2-Fluoropropan-2-yl)pyrimidine-5-carbonitrile
CAS Number:
1427195-26-3
Molecular Formula:
C8H8FN3
Molecular Weight:
165.1676
MDL Number:
MFCD24368640
IUPAC Name:
4-(2-fluoropropan-2-yl)pyrimidine-5-carbonitrile
InChI:
InChI=1S/C8H8FN3/c1-8(2,9)7-6(3-10)4-11-5-12-7/h4-5H,1-2H3
InChI Key:
UPWCPAJBQKHINB-UHFFFAOYSA-N
SMILES:
N#Cc1cncnc1C(F)(C)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.07g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.171g/mol
Monoisotopic Mass:
165.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties