CAS: 89598-96-9
名称: (3-bromophenyl)boronic acid
SMILES:
B(C1=CC(=CC=C1)Br)(O)OMolecular Processing
Molecular formula
C6H6BBrO2
Molecular weight
200.83
Exact mass
199.9644
XLogP
0.13
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
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
43.97
Supplementary Information
InChIKey: AFSSVCNPDKKSRR-UHFFFAOYSA-N
同義語
(3-bromophenyl)boronic AcidRefChem:400002677-281-73-Bromophenylboronic acid89598-96-93-Bromophenylboronicacid3-Bromobenzeneboronic AcidMFCD002393863-Bromophenyl boronic acidCHEMBL2781403-?Bromophenylboronic AcidB-(3-bromophenyl)boronic acidBoronic acid, (3-bromophenyl)-Boronic acid, B-(3-bromophenyl)-;3-Bromophenylboronic acid3-Bromophenylboronic3-borophenylboronic acid3-bromo-phenylboronic acid(3-bromophenyl)boronicAcid3-bromo-benzeneboronic acid3-bromobenzene boronic acid3-bromo-phenyl boronic acidSCHEMBL735693-bromo benzene boronic acid3-bromo-benzene-boronic acid(3-bromophenyl) boronic acidorb2940380DTXSID90370209AFSSVCNPDKKSRR-UHFFFAOYSA-NBDBM50282571EBC-03209
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