2-chloro-4-propylpyrimidine-5-carboxylic acid

2-chloro-4-propylpyrimidine-5-carboxylic acid

CAS: 1260758-64-2

Formula: C8H9ClN2O2

SMILES: CCCC1=C(C=NC(Cl)=N1)C(O)=O

IUPAC: 2-chloro-4-propylpyrimidine-5-carboxylic acid

InChI: InChI=1S/C8H9ClN2O2/c1-2-3-6-5(7(12)13)4-10-8(9)11-6/h4H,2-3H2,1H3,(H,12,13)

Composition: C (47.90%), H (4.52%), Cl (17.67%), N (13.96%), O (15.95%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.0352552
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KPEVMHJPXNNDQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.3
Topological Polar Surface Area	63.08
Polarizability	18.43
Ring Count	1
Rotatable Bond Count	3

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