5-nitro-2-(pyrrolidin-1-yl)benzaldehyde

5-nitro-2-(pyrrolidin-1-yl)benzaldehyde

CAS: 30742-59-7

Formula: C11H12N2O3

SMILES: [O-][N+](=O)C1=CC=C(N2CCCC2)C(C=O)=C1

IUPAC: 5-nitro-2-(pyrrolidin-1-yl)benzaldehyde

InChI: InChI=1S/C11H12N2O3/c14-8-9-7-10(13(15)16)3-4-11(9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2

Composition: C (59.99%), H (5.49%), N (12.72%), O (21.79%)

Molar Mass: 220.228

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.084792254
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FSYPVHLPBAAKIU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.93
Topological Polar Surface Area	63.45
Polarizability	21.9
Ring Count	2
Rotatable Bond Count	3

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