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

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

CAS: 956821-93-5

Formula: C13H19BN2O4

SMILES: CNC1=CC=C(C=C1[N+]([O-])=O)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)9-6-7-10(15-5)11(8-9)16(17)18/h6-8,15H,1-5H3

Composition: C (56.14%), H (6.89%), B (3.89%), N (10.07%), O (23.01%)

Molar Mass: 278.12

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.143787
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XTOIYOHQFNGBRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.23
Topological Polar Surface Area	73.63
Polarizability	28.86
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	956821-93-5		$40.35-$171.50$40.35$68.09$171.50