methyl 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate

methyl 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate

Formula: C10H13N3O2

SMILES: COC(=O)C1=CC=C(C=C1)N=NN(C)C

IUPAC: methyl 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate

InChI: InChI=1S/C10H13N3O2/c1-13(2)12-11-9-6-4-8(5-7-9)10(14)15-3/h4-7H,1-3H3/b12-11+

Composition: C (57.96%), H (6.32%), N (20.28%), O (15.44%)

Molar Mass: 207.233

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.100776671
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QBIUIDQLFKGAPD-VAWYXSNFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.82
Topological Polar Surface Area	54.26
Polarizability	21.54
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C10H13N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00