isocarboxazid

isocarboxazid

CAS: 59-63-2

Formula: C12H13N3O2

SMILES: CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1

IUPAC: N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide

InChI: InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)

Composition: C (62.33%), H (5.67%), N (18.17%), O (13.84%)

Molar Mass: 231.255

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	BMIH; benazide; enerzer; isocarbonazid; isocarbossazide; isocarboxazid; isocarboxazid (inn); isocarboxazid (product); isocarboxazid (substance); isocarboxazid preparation; isocarboxazida; isocarboxazida [inn-spanish]; isocarboxazide; isocarboxazide [inn-french]; isocarboxazidum; isocarboxyzid; maoi - isocarboxazid; maraplan; marplan; marplon
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.100776671
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.78
Topological Polar Surface Area	67.16
Polarizability	23.79
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	59-63-2		$102.43-$657.38$102.43$282.06$394.43$657.38