2,4-dichloropyrimidine-5-carboxylic acid

2,4-dichloropyrimidine-5-carboxylic acid

CAS: 37131-89-8

Formula: C5H2Cl2N2O2

SMILES: OC(=O)C1=C(Cl)N=C(Cl)N=C1

IUPAC: 2,4-dichloropyrimidine-5-carboxylic acid

InChI: InChI=1S/C5H2Cl2N2O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)

Composition: C (31.12%), H (1.04%), Cl (36.74%), N (14.52%), O (16.58%)

Molar Mass: 192.98

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.9493327
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IVIHUCXXDVVSBH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.34
Topological Polar Surface Area	63.08
Polarizability	15.14
Ring Count	1
Rotatable Bond Count	1

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