2-(1,3-benzoxazol-2-yl)acetonitrile

2-(1,3-benzoxazol-2-yl)acetonitrile

CAS: 15344-56-6

Formula: C9H6N2O

SMILES: N#CCC1=NC2=CC=CC=C2O1

IUPAC: 2-(1,3-benzoxazol-2-yl)acetonitrile

InChI: InChI=1S/C9H6N2O/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2

Composition: C (68.35%), H (3.82%), N (17.71%), O (10.12%)

Molar Mass: 158.16

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	158.048012821
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NGUJPJCKRWSDCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.49
Topological Polar Surface Area	49.82
Polarizability	17.35
Ring Count	2
Rotatable Bond Count	1

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