3-(5-chloro-1,3-benzoxazol-2-yl)aniline

3-(5-chloro-1,3-benzoxazol-2-yl)aniline

CAS: 293737-77-6

Formula: C13H9ClN2O

SMILES: NC1=CC(=CC=C1)C1=NC2=CC(Cl)=CC=C2O1

IUPAC: 3-(5-chloro-1,3-benzoxazol-2-yl)aniline

InChI: InChI=1S/C13H9ClN2O/c14-9-4-5-12-11(7-9)16-13(17-12)8-2-1-3-10(15)6-8/h1-7H,15H2

Composition: C (63.82%), H (3.71%), Cl (14.49%), N (11.45%), O (6.54%)

Molar Mass: 244.68

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	244.0403406
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QZWFTMFERGNVLX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.33
Topological Polar Surface Area	52.05
Polarizability	27.12
Ring Count	3
Rotatable Bond Count	1

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