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Home > Boronic Acids > 1032231-32-5
1032231-32-5 | (3-Bromo-2-cyanophenyl);boronic acid
CAS No: 1032231-32-5 Catalog No: AG007XX4 MDL No:MFCD10696672
Product Description
Catalog Number:
AG007XX4
Chemical Name:
(3-Bromo-2-cyanophenyl);boronic acid
CAS Number:
1032231-32-5
Molecular Formula:
C7H5BBrNO2
Molecular Weight:
225.8351
MDL Number:
MFCD10696672
IUPAC Name:
(3-bromo-2-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H5BBrNO2/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,11-12H
InChI Key:
LHGIIQFOQAPPQA-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)cccc1B(O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.836g/mol
Monoisotopic Mass:
224.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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