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1245646-55-2 | Methanone, (4,6-dichloro-5-pyrimidinyl)(4-methoxyphenyl)-
CAS No: 1245646-55-2 Catalog No: AG000MBA MDL No:MFCD11109887
Product Description
Catalog Number:
AG000MBA
Chemical Name:
Methanone, (4,6-dichloro-5-pyrimidinyl)(4-methoxyphenyl)-
CAS Number:
1245646-55-2
Molecular Formula:
C12H8Cl2N2O2
Molecular Weight:
283.1101
MDL Number:
MFCD11109887
IUPAC Name:
(4,6-dichloropyrimidin-5-yl)-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C12H8Cl2N2O2/c1-18-8-4-2-7(3-5-8)10(17)9-11(13)15-6-16-12(9)14/h2-6H,1H3
InChI Key:
SLUQGTXCJRSZIH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1c(Cl)ncnc1Cl
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.108g/mol
Monoisotopic Mass:
281.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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