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1261737-95-4 | 4-Pyrimidineacetonitrile, 5-chloro-
CAS No: 1261737-95-4 Catalog No: AG000RYY MDL No:MFCD18415907
Product Description
Catalog Number:
AG000RYY
Chemical Name:
4-Pyrimidineacetonitrile, 5-chloro-
CAS Number:
1261737-95-4
Molecular Formula:
C6H4ClN3
Molecular Weight:
153.5691
MDL Number:
MFCD18415907
IUPAC Name:
2-(5-chloropyrimidin-4-yl)acetonitrile
InChI:
InChI=1S/C6H4ClN3/c7-5-3-9-4-10-6(5)1-2-8/h3-4H,1H2
InChI Key:
HSXNXCMGGODPSW-UHFFFAOYSA-N
SMILES:
N#CCc1ncncc1Cl
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.569g/mol
Monoisotopic Mass:
153.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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