3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

CAS: 928847-00-1

Formula: C12H17BN2O4

SMILES: CC1(C)OB(OC1(C)C)C1=C(C=C(N)C=C1)[N+]([O-])=O

IUPAC: 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

InChI: InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)9-6-5-8(14)7-10(9)15(16)17/h5-7H,14H2,1-4H3

Composition: C (54.58%), H (6.49%), B (4.09%), N (10.61%), O (24.23%)

Molar Mass: 264.09

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.128137
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	PPNKEBXUGYDCLG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.73
Topological Polar Surface Area	87.62
Polarizability	27.03
Ring Count	2
Rotatable Bond Count	2

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