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N2-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine

N2-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine

CAS: 1001625-82-6

Formula: C15H13ClN4

SMILES: CC1=CC=C(NC2=NC3=CC=CC=C3C(N)=N2)C=C1Cl

IUPAC: N2-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine

InChI: InChI=1S/C15H13ClN4/c1-9-6-7-10(8-12(9)16)18-15-19-13-5-3-2-4-11(13)14(17)20-15/h2-8H,1H3,(H3,17,18,19,20)

Composition: C (63.27%), H (4.60%), Cl (12.45%), N (19.68%)

Molar Mass: 284.75

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 284.0828741
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LFMFPKKYRXFHHZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.09
Topological Polar Surface Area 63.83
Polarizability 31.54
Ring Count 3
Rotatable Bond Count 2

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