Home Halogens 2-chloro-6-phenyl-4(3H)-Pyrimidinone

2-chloro-6-phenyl-4(3H)-Pyrimidinone

CAS No.:
86984-20-5
Catalog Number:
AG00H3PE
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
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Product Description
Catalog Number:
AG00H3PE
Chemical Name:
2-chloro-6-phenyl-4(3H)-Pyrimidinone
CAS Number:
86984-20-5
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
MDL Number:
MFCD24562019
IUPAC Name:
2-chloro-6-phenyl-1,3-diazinan-4-one
InChI:
InChI=1S/C10H11ClN2O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-5,8,10,12H,6H2,(H,13,14)
InChI Key:
BLWUZYHFNORBLB-UHFFFAOYSA-N
SMILES:
O=c1cc(nc([nH]1)Cl)c1ccccc1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.661g/mol
Monoisotopic Mass:
210.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties