Azobenzene-4,4'-diboronic Acid - CAS 1902168-17-5

Catalog:	BB055039
Product Name:	Azobenzene-4,4'-diboronic Acid
CAS:	1902168-17-5
Synonyms:	(E)-(diazene-1,2-diylbis(4,1-phenylene))diboronic acid; Azobenzene-4,4'-diboronic Acid; [4-[(4-boronophenyl)diazenyl]phenyl]boronic acid; (Diazene-1,2-diylbis(4,1-phenylene))diboronic acid; {4-[(1E)-2-[4-(dihydroxyboranyl)phenyl]diazen-1-yl]phenyl}boronic acid

Technical Data

Computed Properties

IUPAC Name:	[4-[(4-boronophenyl)diazenyl]phenyl]boronic acid
Molecular Weight:	269.86
Molecular Formula:	C12H12B2N2O4
Canonical SMILES:	B(C1=CC=C(C=C1)N=NC2=CC=C(C=C2)B(O)O)(O)O
InChI:	InChI=1S/C12H12B2N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8,17-20H
InChI Key:	SPJQNBILZYROPH-UHFFFAOYSA-N

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Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.0983172
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	270.0983172
Rotatable Bond Count:	4
Topological Polar Surface Area:	106Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0