Home Carbonyls 5-Pyrimidinecarbonyl chloride, 2-phenyl-

5-Pyrimidinecarbonyl chloride, 2-phenyl-

CAS No.:
122774-00-9
Catalog Number:
AG000JG4
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
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Product Description
Catalog Number:
AG000JG4
Chemical Name:
5-Pyrimidinecarbonyl chloride, 2-phenyl-
CAS Number:
122774-00-9
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
MDL Number:
MFCD09817549
IUPAC Name:
2-phenylpyrimidine-5-carbonyl chloride
InChI:
InChI=1S/C11H7ClN2O/c12-10(15)9-6-13-11(14-7-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
ALJPJRINUUKTMA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cnc(nc1)c1ccccc1
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties