3-benzyl-5-chloro-1,2-benzoxazole

3-benzyl-5-chloro-1,2-benzoxazole

CAS: 887573-14-0

Formula: C14H10ClNO

SMILES: ClC1=CC=C2ON=C(CC3=CC=CC=C3)C2=C1

IUPAC: 3-benzyl-5-chloro-1,2-benzoxazole

InChI: InChI=1S/C14H10ClNO/c15-11-6-7-14-12(9-11)13(16-17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2

Composition: C (69.00%), H (4.14%), Cl (14.55%), N (5.75%), O (6.57%)

Molar Mass: 243.69

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	243.0450916
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	IHWWJTCVCNXVSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.95
Topological Polar Surface Area	26.03
Polarizability	27.06
Ring Count	3
Rotatable Bond Count	2

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