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4,6-dichloropyrimidine-5-carbonyl chloride

4,6-dichloropyrimidine-5-carbonyl chloride

CAS: 87600-97-3

Formula: C5HCl3N2O

SMILES: ClC(=O)C1=C(Cl)N=CN=C1Cl

IUPAC: 4,6-dichloropyrimidine-5-carbonyl chloride

InChI: InChI=1S/C5HCl3N2O/c6-3-2(5(8)11)4(7)10-1-9-3/h1H

Composition: C (28.40%), H (0.48%), Cl (50.30%), N (13.25%), O (7.57%)

Molar Mass: 211.43

Atom Count: 12

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.9154458
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RXNNHSKCCHGJQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.57
Topological Polar Surface Area 42.85
Polarizability 16.52
Ring Count 1
Rotatable Bond Count 1

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