N-(5-amino-2-cyanophenyl)acetamide

N-(5-amino-2-cyanophenyl)acetamide

CAS: 196394-40-8

Formula: C9H9N3O

SMILES: CC(=O)NC1=C(C=CC(N)=C1)C#N

IUPAC: N-(5-amino-2-cyanophenyl)acetamide

InChI: InChI=1S/C9H9N3O/c1-6(13)12-9-4-8(11)3-2-7(9)5-10/h2-4H,11H2,1H3,(H,12,13)

Composition: C (61.70%), H (5.18%), N (23.99%), O (9.13%)

Molar Mass: 175.191

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.074561922
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	TUEWLKSWIXPANW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.34
Topological Polar Surface Area	78.91
Polarizability	18.19
Ring Count	1
Rotatable Bond Count	1

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90%	<2 Days	196394-40-8		$51.35-$86.31$51.35$63.37$86.31