2-(cyclopropylamino)-5-nitrobenzonitrile

2-(cyclopropylamino)-5-nitrobenzonitrile

CAS: 941017-94-3

Formula: C10H9N3O2

SMILES: [O-][N+](=O)C1=CC(C#N)=C(NC2CC2)C=C1

IUPAC: 2-(cyclopropylamino)-5-nitrobenzonitrile

InChI: InChI=1S/C10H9N3O2/c11-6-7-5-9(13(14)15)3-4-10(7)12-8-1-2-8/h3-5,8,12H,1-2H2

Composition: C (59.11%), H (4.46%), N (20.68%), O (15.75%)

Molar Mass: 203.201

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.069476542
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GLERGCQGOPMYNX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.51
Topological Polar Surface Area	78.96
Polarizability	19.99
Ring Count	2
Rotatable Bond Count	3

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