2-[(2-methylpropyl)amino]-5-nitrobenzonitrile

2-[(2-methylpropyl)amino]-5-nitrobenzonitrile

CAS: 731807-67-3

Formula: C11H13N3O2

SMILES: CC(C)CNC1=C(C=C(C=C1)[N+]([O-])=O)C#N

IUPAC: 2-[(2-methylpropyl)amino]-5-nitrobenzonitrile

InChI: InChI=1S/C11H13N3O2/c1-8(2)7-13-11-4-3-10(14(15)16)5-9(11)6-12/h3-5,8,13H,7H2,1-2H3

Composition: C (60.26%), H (5.98%), N (19.17%), O (14.59%)

Molar Mass: 219.244

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.100776671
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FGVNFTMTAITBRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.04
Topological Polar Surface Area	78.96
Polarizability	22.54
Ring Count	1
Rotatable Bond Count	4

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