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83217-22-5 | Benzaldehyde, 4-(4,6-dichloro-2-pyrimidinyl)-
CAS No: 83217-22-5 Catalog No: AG004Z3H MDL No:
Product Description
Catalog Number:
AG004Z3H
Chemical Name:
Benzaldehyde, 4-(4,6-dichloro-2-pyrimidinyl)-
CAS Number:
83217-22-5
Molecular Formula:
C11H6Cl2N2O
Molecular Weight:
253.0841
IUPAC Name:
4-(4,6-dichloropyrimidin-2-yl)benzaldehyde
InChI:
InChI=1S/C11H6Cl2N2O/c12-9-5-10(13)15-11(14-9)8-3-1-7(6-16)2-4-8/h1-6H
InChI Key:
BQWMDETVFDISGJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1nc(Cl)cc(n1)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.082g/mol
Monoisotopic Mass:
251.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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