BRN 0859453

3-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one

CAS: 36933-80-9

Molecular Formula	`C22H14Cl2IN3O2`
Molecular Weight	550.2 g/mol
LogP	5.3
Topological Polar Surface Area	65.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	548.9508
Heavy Atoms	30
Complexity	698.0

Chemical Identifiers

CAS Number	36933-80-9
SMILES	`CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC(=C4)Cl)Cl)O`
InChIKey	`KXIKFNLAJWVGHP-UHFFFAOYSA-N`

📖 Product Overview

BRN 0859453 (CAS: 36933-80-9) is a chemical compound with molecular formula C22H14Cl2IN3O2 and molecular weight 550.2 g/mol. Its IUPAC systematic name is 3-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one. LogP 5.3 Topological Polar Surface Area 65.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 548.9508 Heavy Atoms 30 Complexity 698.0 InChI Key: KXIKFNLAJWVGHP-UHFFFAOYSA-N. SMILES: CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC(=C4)Cl)Cl)O.

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