4-tert-butyl-3-nitroaniline

4-tert-butyl-3-nitroaniline

CAS: 31951-12-9

Formula: C10H14N2O2

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

IUPAC: 4-tert-butyl-3-nitroaniline

InChI: InChI=1S/C10H14N2O2/c1-10(2,3)8-5-4-7(11)6-9(8)12(13)14/h4-6H,11H2,1-3H3

Composition: C (61.84%), H (7.27%), N (14.42%), O (16.47%)

Molar Mass: 194.234

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.105527699
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KGBIPCNLIXXUQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.74
Topological Polar Surface Area	69.16
Polarizability	20.62
Ring Count	1
Rotatable Bond Count	2

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