1-butyl-4-nitrobenzene

1-butyl-4-nitrobenzene

CAS: 20651-75-6

Formula: C10H13NO2

SMILES: CCCCC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-butyl-4-nitrobenzene

InChI: InChI=1S/C10H13NO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.094628663
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JZRBCNLSIDKBMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.22
Topological Polar Surface Area	43.14
Polarizability	19.47
Ring Count	1
Rotatable Bond Count	4

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