4-(1H-1,3-benzodiazol-2-yl)butan-2-one

4-(1H-1,3-benzodiazol-2-yl)butan-2-one

CAS: 19276-01-8

Formula: C11H12N2O

SMILES: CC(=O)CCC1=NC2=CC=CC=C2N1

IUPAC: 4-(1H-1,3-benzodiazol-2-yl)butan-2-one

InChI: InChI=1S/C11H12N2O/c1-8(14)6-7-11-12-9-4-2-3-5-10(9)13-11/h2-5H,6-7H2,1H3,(H,12,13)

Composition: C (70.19%), H (6.43%), N (14.88%), O (8.50%)

Molar Mass: 188.23

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	188.094963014
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BPMKLYRTTZXHON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.85
Topological Polar Surface Area	45.75
Polarizability	22.1
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	19276-01-8		$116.01-$432.52$116.01$175.28$432.52