methyl 2-[(cyanomethyl)amino]benzoate

methyl 2-[(cyanomethyl)amino]benzoate

CAS: 28354-20-3

Formula: C10H10N2O2

SMILES: COC(=O)C1=CC=CC=C1NCC#N

IUPAC: methyl 2-[(cyanomethyl)amino]benzoate

InChI: InChI=1S/C10H10N2O2/c1-14-10(13)8-4-2-3-5-9(8)12-7-6-11/h2-5,12H,7H2,1H3

Composition: C (63.15%), H (5.30%), N (14.73%), O (16.82%)

Molar Mass: 190.202

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	190.07422757
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CNYPOHOEZKXXEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.34
Topological Polar Surface Area	62.12
Polarizability	19.43
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	28354-20-3		$76.92-$378.30$76.92$151.32$378.30