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N-(3-chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine

CAS: 179552-74-0

Formula: C15H10ClFN4O3

SMILES: COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1[N+]([O-])=O

IUPAC: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine

InChI: InChI=1S/C15H10ClFN4O3/c1-24-14-6-12-9(5-13(14)21(22)23)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7H,1H3,(H,18,19,20)

Composition: C (51.66%), H (2.89%), Cl (10.17%), F (5.45%), N (16.07%), O (13.76%)

Molar Mass: 348.72

Atom Count: 34

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 348.0425461
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey VKEKKVCWODTGAP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.41
Topological Polar Surface Area 90.18
Polarizability 32.81
Ring Count 3
Rotatable Bond Count 4

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