2,4-dichloro-6-methylpyrimidine-5-carboxylic acid

2,4-dichloro-6-methylpyrimidine-5-carboxylic acid

CAS: 933702-99-9

Formula: C6H4Cl2N2O2

SMILES: CC1=NC(Cl)=NC(Cl)=C1C(O)=O

IUPAC: 2,4-dichloro-6-methylpyrimidine-5-carboxylic acid

InChI: InChI=1S/C6H4Cl2N2O2/c1-2-3(5(11)12)4(7)10-6(8)9-2/h1H3,(H,11,12)

Composition: C (34.81%), H (1.95%), Cl (34.25%), N (13.53%), O (15.46%)

Molar Mass: 207.01

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.9649828
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NNTJWVUHMSHSCT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.93
Topological Polar Surface Area	63.08
Polarizability	16.87
Ring Count	1
Rotatable Bond Count	1

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