4-[5-(bromomethyl)-1,2-oxazol-3-yl]benzoic acid

4-[5-(bromomethyl)-1,2-oxazol-3-yl]benzoic acid

CAS: 1199773-70-0

Formula: C11H8BrNO3

SMILES: OC(=O)C1=CC=C(C=C1)C1=NOC(CBr)=C1

IUPAC: 4-[5-(bromomethyl)-1,2-oxazol-3-yl]benzoic acid

InChI: InChI=1S/C11H8BrNO3/c12-6-9-5-10(13-16-9)7-1-3-8(4-2-7)11(14)15/h1-5H,6H2,(H,14,15)

Composition: C (46.84%), H (2.86%), Br (28.33%), N (4.97%), O (17.01%)

Molar Mass: 282.093

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.968756
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YVSLGPKGGZJGER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.25
Topological Polar Surface Area	63.33
Polarizability	24.18
Ring Count	2
Rotatable Bond Count	3

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