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[3-bromo-5-(hydroxymethyl)-1,2-oxazol-4-yl]methanol

[3-bromo-5-(hydroxymethyl)-1,2-oxazol-4-yl]methanol

CAS: 153954-80-4

Formula: C5H6BrNO3

SMILES: OCC1=C(CO)C(Br)=NO1

IUPAC: [3-bromo-5-(hydroxymethyl)-1,2-oxazol-4-yl]methanol

InChI: InChI=1S/C5H6BrNO3/c6-5-3(1-8)4(2-9)10-7-5/h8-9H,1-2H2

Composition: C (28.87%), H (2.91%), Br (38.41%), N (6.73%), O (23.07%)

Molar Mass: 208.011

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.953106
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HUUQVBZEXANGIH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.47
Topological Polar Surface Area 66.49
Polarizability 14.54
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 153954-80-4 $1,817.00-$6,762.00$1,817.00$6,762.00
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