trichloropyrimidine-5-carboxylic acid

trichloropyrimidine-5-carboxylic acid

CAS: 93416-51-4

Formula: C5HCl3N2O2

SMILES: OC(=O)C1=C(Cl)N=C(Cl)N=C1Cl

IUPAC: trichloropyrimidine-5-carboxylic acid

InChI: InChI=1S/C5HCl3N2O2/c6-2-1(4(11)12)3(7)10-5(8)9-2/h(H,11,12)

Composition: C (26.41%), H (0.44%), Cl (46.76%), N (12.32%), O (14.07%)

Molar Mass: 227.43

Atom Count: 13

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.9103604
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WYOSARQXNFQQIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.21
Topological Polar Surface Area	63.08
Polarizability	17.22
Ring Count	1
Rotatable Bond Count	1

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