1H-1,3-benzodiazole-4-carbaldehyde

1H-1,3-benzodiazole-4-carbaldehyde

CAS: 144876-36-8

Formula: C8H6N2O

SMILES: O=CC1=C2N=CNC2=CC=C1

IUPAC: 1H-1,3-benzodiazole-4-carbaldehyde

InChI: InChI=1S/C8H6N2O/c11-4-6-2-1-3-7-8(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	UNGJRTXGRUDJGM-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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