Home Halogens 2-(5-chloro-2-methoxypyrimidin-4-yl)acetonitrile

2-(5-chloro-2-methoxypyrimidin-4-yl)acetonitrile

CAS No.:
1537618-65-7
Catalog Number:
AG01BVQ8
Molecular Formula:
C7H6ClN3O
Molecular Weight:
183.5950
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Product Description
Catalog Number:
AG01BVQ8
Chemical Name:
2-(5-chloro-2-methoxypyrimidin-4-yl)acetonitrile
CAS Number:
1537618-65-7
Molecular Formula:
C7H6ClN3O
Molecular Weight:
183.5950
MDL Number:
MFCD23979496
IUPAC Name:
2-(5-chloro-2-methoxypyrimidin-4-yl)acetonitrile
InChI:
InChI=1S/C7H6ClN3O/c1-12-7-10-4-5(8)6(11-7)2-3-9/h4H,2H2,1H3
InChI Key:
LDBJNVCFXHPPPN-UHFFFAOYSA-N
SMILES:
N#CCc1nc(OC)ncc1Cl
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.595g/mol
Monoisotopic Mass:
183.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties