2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

CAS: 5458-56-0

Formula: C9H8Cl2N2O2

SMILES: OC(=O)C1CCC2=NC(Cl)=NC(Cl)=C2C1

IUPAC: 2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

InChI: InChI=1/C9H8Cl2N2O2/c10-7-5-3-4(8(14)15)1-2-6(5)12-9(11)13-7/h4H,1-3H2,(H,14,15)

Composition: C (43.75%), H (3.26%), Cl (28.70%), N (11.34%), O (12.95%)

Molar Mass: 247.08

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	245.9962829
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IGTFBKKBTPDJCU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.39
Topological Polar Surface Area	63.08
Polarizability	21.66
Ring Count	2
Rotatable Bond Count	1

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