CAS: 150255-96-2
名称: (3-cyanophenyl)boronic acid
SMILES:
B(C1=CC(=CC=C1)C#N)(O)OMolecular Processing
Molecular formula
C7H6BNO2
Molecular weight
146.94
Exact mass
147.0492
XLogP
-0.76
TPSA
64.25
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.98
Supplementary Information
InChIKey: XDBHWPLGGBLUHH-UHFFFAOYSA-N
同義語
3-Cyanophenylboronic acid150255-96-2(3-cyanophenyl)boronic AcidDTXSID60370216RefChem:500649DTXCID50321252604-729-03-Cyanobenzeneboronic AcidBoronic acid, B-(3-cyanophenyl)-MFCD013189673-cyano phenylboronic acid3-Boronobenzonitrile3-Cyanophenylboronicacid3-cyanophenyl boronic acidBORONIC ACID, (3-CYANOPHENYL)-3-(dihydroxyboranyl)benzonitrilePhenylboronic Acid, 4m-cyanophenyl boronic acid3-cyano-phenylboronic acid3-cyanophenyl-boronic acid3-cyanobenzene boronic acidSCHEMBL48833-(cyano)phenylboronic acid3-cyano-phenyl boronic acid3-cyano-phenyl-boronic acid3-cyano-benzene boronic acid(3-cyanophenyl) boronic acidCHEMBL485740orb2940031Dihydroxy-(3-cyanophenyl)borane
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