5-nitro-2-(propylamino)benzonitrile

5-nitro-2-(propylamino)benzonitrile

CAS: 731811-59-9

Formula: C10H11N3O2

SMILES: CCCNC1=C(C=C(C=C1)[N+]([O-])=O)C#N

IUPAC: 5-nitro-2-(propylamino)benzonitrile

InChI: InChI=1S/C10H11N3O2/c1-2-5-12-10-4-3-9(13(14)15)6-8(10)7-11/h3-4,6,12H,2,5H2,1H3

Composition: C (58.53%), H (5.40%), N (20.48%), O (15.59%)

Molar Mass: 205.217

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.085126606
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JWUDRLMEHXUGFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.57
Topological Polar Surface Area	78.96
Polarizability	20.71
Ring Count	1
Rotatable Bond Count	4

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