4-amino-2-(5-chloro-1,3-benzoxazol-2-yl)phenol

4-amino-2-(5-chloro-1,3-benzoxazol-2-yl)phenol

CAS: 293737-93-6

Formula: C13H9ClN2O2

SMILES: NC1=CC(C2=NC3=CC(Cl)=CC=C3O2)=C(O)C=C1

IUPAC: 4-amino-2-(5-chloro-1,3-benzoxazol-2-yl)phenol

InChI: InChI=1S/C13H9ClN2O2/c14-7-1-4-12-10(5-7)16-13(18-12)9-6-8(15)2-3-11(9)17/h1-6,17H,15H2

Composition: C (59.90%), H (3.48%), Cl (13.60%), N (10.75%), O (12.27%)

Molar Mass: 260.68

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	260.0352552
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CKGKGFIABWHZOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.31
Topological Polar Surface Area	72.28
Polarizability	27.71
Ring Count	3
Rotatable Bond Count	1

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