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6-bromo-1,3-benzoxazole-2-carboxamide

6-bromo-1,3-benzoxazole-2-carboxamide

CAS: 954239-70-4

Formula: C8H5BrN2O2

SMILES: NC(=O)C1=NC2=CC=C(Br)C=C2O1

IUPAC: 6-bromo-1,3-benzoxazole-2-carboxamide

InChI: InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)13-8(11-5)7(10)12/h1-3H,(H2,10,12)

Composition: C (39.86%), H (2.09%), Br (33.15%), N (11.62%), O (13.27%)

Molar Mass: 241.044

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 239.95344
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CEPSYFXCUFTLTE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.9
Topological Polar Surface Area 69.12
Polarizability 19.58
Ring Count 2
Rotatable Bond Count 1

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98% <2 Days 954239-70-4 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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