2-[5-(bromomethyl)-1,2-oxazol-3-yl]benzonitrile

2-[5-(bromomethyl)-1,2-oxazol-3-yl]benzonitrile

CAS: 1158735-29-5

Formula: C11H7BrN2O

SMILES: BrCC1=CC(=NO1)C1=C(C=CC=C1)C#N

IUPAC: 2-[5-(bromomethyl)-1,2-oxazol-3-yl]benzonitrile

InChI: InChI=1S/C11H7BrN2O/c12-6-9-5-11(14-15-9)10-4-2-1-3-8(10)7-13/h1-5H,6H2

Composition: C (50.22%), H (2.68%), Br (30.37%), N (10.65%), O (6.08%)

Molar Mass: 263.094

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.974176
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YQCWKGGFOAOGKM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.71
Topological Polar Surface Area	49.82
Polarizability	23.59
Ring Count	2
Rotatable Bond Count	2

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