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

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

CAS: 1269233-01-3

Formula: C12H17BClNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1Cl

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

InChI: InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(15)10(8)14/h5-7H,15H2,1-4H3

Composition: C (56.85%), H (6.76%), B (4.26%), Cl (13.98%), N (5.52%), O (12.62%)

Molar Mass: 253.53

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.104086
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JWWBQCGHXVOJNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.22
Topological Polar Surface Area	44.48
Polarizability	27.02
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1269233-01-3		$110.97-$876.40$110.97$397.22$876.40