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5-bromo-1,3-benzoxazole-2-carboxylic acid

5-bromo-1,3-benzoxazole-2-carboxylic acid

CAS: 944898-52-6

Formula: C8H4BrNO3

SMILES: OC(=O)C1=NC2=CC(Br)=CC=C2O1

IUPAC: 5-bromo-1,3-benzoxazole-2-carboxylic acid

InChI: InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12)

Composition: C (39.70%), H (1.67%), Br (33.01%), N (5.79%), O (19.83%)

Molar Mass: 242.028

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 240.937456
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AJRDRXNMYCNFOW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.08
Topological Polar Surface Area 63.33
Polarizability 19.13
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 944898-52-6 $286.35-$6,762.00$286.35$457.70$687.70$1,127.00$1,817.00$6,762.00
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