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2-tert-butyl-4-chloroquinazoline

2-tert-butyl-4-chloroquinazoline

CAS: 403612-89-5

Formula: C12H13ClN2

SMILES: CC(C)(C)C1=NC2=CC=CC=C2C(Cl)=N1

IUPAC: 2-tert-butyl-4-chloroquinazoline

InChI: InChI=1S/C12H13ClN2/c1-12(2,3)11-14-9-7-5-4-6-8(9)10(13)15-11/h4-7H,1-3H3

Composition: C (65.31%), H (5.94%), Cl (16.06%), N (12.69%)

Molar Mass: 220.7

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.0767261
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RRKKSASKQFKRHK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.99
Topological Polar Surface Area 25.78
Polarizability 25.29
Ring Count 2
Rotatable Bond Count 1

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