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5-(4-bromophenyl)-3-methyl-1,2-oxazole

5-(4-bromophenyl)-3-methyl-1,2-oxazole

CAS: 52063-43-1

Formula: C10H8BrNO

SMILES: CC1=NOC(=C1)C1=CC=C(Br)C=C1

IUPAC: 5-(4-bromophenyl)-3-methyl-1,2-oxazole

InChI: InChI=1S/C10H8BrNO/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3

Composition: C (50.45%), H (3.39%), Br (33.56%), N (5.88%), O (6.72%)

Molar Mass: 238.084

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 236.978927
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AKCVUKKYCZTWKS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.73
Topological Polar Surface Area 26.03
Polarizability 21.74
Ring Count 2
Rotatable Bond Count 1

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