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1000565-07-0 | 5-Pyrimidineacetonitrile, 2-chloro-
CAS No: 1000565-07-0 Catalog No: AG0000QA MDL No:MFCD09923776
Product Description
Catalog Number:
AG0000QA
Chemical Name:
5-Pyrimidineacetonitrile, 2-chloro-
CAS Number:
1000565-07-0
Molecular Formula:
C6H4ClN3
Molecular Weight:
153.5691
MDL Number:
MFCD09923776
IUPAC Name:
2-(2-chloropyrimidin-5-yl)acetonitrile
InChI:
InChI=1S/C6H4ClN3/c7-6-9-3-5(1-2-8)4-10-6/h3-4H,1H2
InChI Key:
NZEDFNIVFKOLIV-UHFFFAOYSA-N
SMILES:
N#CCc1cnc(nc1)Cl
Properties
Complexity:
142
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:
0.8
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