3-(1,3-benzoxazol-2-yl)benzoyl chloride

3-(1,3-benzoxazol-2-yl)benzoyl chloride

CAS: 1017791-53-5

Formula: C14H8ClNO2

SMILES: ClC(=O)C1=CC(=CC=C1)C1=NC2=CC=CC=C2O1

IUPAC: 3-(1,3-benzoxazol-2-yl)benzoyl chloride

InChI: InChI=1S/C14H8ClNO2/c15-13(17)9-4-3-5-10(8-9)14-16-11-6-1-2-7-12(11)18-14/h1-8H

Composition: C (65.26%), H (3.13%), Cl (13.76%), N (5.44%), O (12.42%)

Molar Mass: 257.67

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	257.0243562
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JVUJDBUZPOFQRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.94
Topological Polar Surface Area	43.1
Polarizability	27.84
Ring Count	3
Rotatable Bond Count	2

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