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2-amino-1,3-benzoxazole-6-carbaldehyde

2-amino-1,3-benzoxazole-6-carbaldehyde

CAS: 1806340-60-2

Formula: C8H6N2O2

SMILES: NC1=NC2=CC=C(C=O)C=C2O1

IUPAC: 2-amino-1,3-benzoxazole-6-carbaldehyde

InChI: InChI=1S/C8H6N2O2/c9-8-10-6-2-1-5(4-11)3-7(6)12-8/h1-4H,(H2,9,10)

Composition: C (59.26%), H (3.73%), N (17.28%), O (19.73%)

Molar Mass: 162.148

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 162.042927441
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZUQYLMVOVYMYOS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.48
Topological Polar Surface Area 69.12
Polarizability 16.86
Ring Count 2
Rotatable Bond Count 1

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95% <5 Days 1806340-60-2 $79.44-$141.23$79.44$141.23
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