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

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

CAS: 1119449-35-2

Formula: C11H8BrNO2

SMILES: CC1=C(C=O)C(=NO1)C1=CC=C(Br)C=C1

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

InChI: InChI=1S/C11H8BrNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-6H,1H3

Composition: C (49.65%), H (3.03%), Br (30.03%), N (5.26%), O (12.03%)

Molar Mass: 266.094

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 264.973842
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YQMIITZUGLDSDU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.62
Topological Polar Surface Area 43.1
Polarizability 23.7
Ring Count 2
Rotatable Bond Count 2

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