Home Halogens Methanone, (4-chlorophenyl)-5-pyrimidinyl-

Methanone, (4-chlorophenyl)-5-pyrimidinyl-

CAS No.:
103686-55-1
Catalog Number:
AG007X7B
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
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Product Description
Catalog Number:
AG007X7B
Chemical Name:
Methanone, (4-chlorophenyl)-5-pyrimidinyl-
CAS Number:
103686-55-1
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
MDL Number:
MFCD13152954
IUPAC Name:
(4-chlorophenyl)-pyrimidin-5-ylmethanone
InChI:
InChI=1S/C11H7ClN2O/c12-10-3-1-8(2-4-10)11(15)9-5-13-7-14-6-9/h1-7H
InChI Key:
ZDWRULLIEOEBRC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1cncnc1
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:
2.2  
Properties