B(C1=CC=C(C=C1)B(O)O)(O)O
CAS: 4612-26-4
Name: (4-boronophenyl)boronic acid
SMILES: B(C1=CC=C(C=C1)B(O)O)(O)O

Molecular Processing

Molecular formula
C6H8B2O4
Molecular weight
165.75
Exact mass
166.0609
XLogP
-2.95
TPSA
80.92
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
46.09

Supplementary Information

InChIKey: BODYVHJTUHHINQ-UHFFFAOYSA-N
Synonyme
1,4-Benzenediboronic acidRefChem:415920628-888-04612-26-41,4-Phenylenediboronic Acid1,4-Phenylenebisboronic acidBenzene-1,4-diboronic acid(4-boronophenyl)boronic acid1,4-phenylenebis(boronic acid)MFCD00236018p-Benzenediboronic acidBoronic acid, 1,4-phenylenebis-[4-(dihydroxyboranyl)phenyl]boronic acidCHEMBL140916NSC-25410p-Phenylenediboronic acid1,4-Phenylenediboronicacid676566-94-2p-phenylenebisboronic acidBenzene-1,4-diboronic acid; 1,4-Benzenediboronic acid;1,4-Phenylenediboronic Acid; 1,4-Phenylenebis(boronic acid)Boronic acid, B,B'-1,4-phenylenebis-1,4 phenyl diboronic acid1,4-benzene diboronic acid7YV27ET8YM1,4-phenylene diboronic acidSCHEMBL204921benzene-1,4-diyldiboronic acidorb2940487DTXSID20963507NSC25410
Quelle anzeigen →
An 15 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→