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1H-1,3-benzodiazole-5-carbaldehyde

1H-1,3-benzodiazole-5-carbaldehyde

CAS: 58442-17-4

Formula: C8H6N2O

SMILES: O=CC1=CC=C2NC=NC2=C1

IUPAC: 1H-1,3-benzodiazole-5-carbaldehyde

InChI: InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)

Composition: C (65.75%), H (4.14%), N (19.17%), O (10.95%)

Molar Mass: 146.149

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 146.048012821
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ALCHVVTYAHQOFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.55
Topological Polar Surface Area 45.75
Polarizability 16.55
Ring Count 2
Rotatable Bond Count 1

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