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methyl 2-bromo-1,3-oxazole-4-carboxylate

methyl 2-bromo-1,3-oxazole-4-carboxylate

CAS: 1092351-94-4

Formula: C5H4BrNO3

SMILES: COC(=O)C1=COC(Br)=N1

IUPAC: methyl 2-bromo-1,3-oxazole-4-carboxylate

InChI: InChI=1S/C5H4BrNO3/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3

Composition: C (29.15%), H (1.96%), Br (38.79%), N (6.80%), O (23.30%)

Molar Mass: 205.995

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.937456
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IPOIRZXJSNVZTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.05
Topological Polar Surface Area 52.33
Polarizability 14.14
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 1092351-94-4 $419.58-$1,587.60$419.58$1,587.60
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