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88974-10-1 | 2,4-Hexadienamide, N-(4-chloro-6-methyl-2-pyrimidinyl)-, (E,E)-
CAS No: 88974-10-1 Catalog No: AG0045RG MDL No:
Product Description
Catalog Number:
AG0045RG
Chemical Name:
2,4-Hexadienamide, N-(4-chloro-6-methyl-2-pyrimidinyl)-, (E,E)-
CAS Number:
88974-10-1
Molecular Formula:
C11H12ClN3O
Molecular Weight:
237.6855
IUPAC Name:
N-(4-chloro-6-methylpyrimidin-2-yl)hexa-2,4-dienamide
InChI:
InChI=1S/C11H12ClN3O/c1-3-4-5-6-10(16)15-11-13-8(2)7-9(12)14-11/h3-7H,1-2H3,(H,13,14,15,16)
InChI Key:
FBICMLPPBFEWAF-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)Nc1nc(C)cc(n1)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.687g/mol
Monoisotopic Mass:
237.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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