4-chloropyrimidine-2-carboxylic acid

4-chloropyrimidine-2-carboxylic acid

CAS: 944901-20-6

Formula: C5H3ClN2O2

SMILES: OC(=O)C1=NC(Cl)=CC=N1

IUPAC: 4-chloropyrimidine-2-carboxylic acid

InChI: InChI=1S/C5H3ClN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)

Composition: C (37.88%), H (1.91%), Cl (22.36%), N (17.67%), O (20.18%)

Molar Mass: 158.54

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.988305
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UURIMXSRDJGGFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.51
Topological Polar Surface Area	63.08
Polarizability	13.02
Ring Count	1
Rotatable Bond Count	1

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