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Home > Boronic Acids > 458532-94-0
458532-94-0 | (2-Bromopyridin-4-yl)boronic acid
CAS No: 458532-94-0 Catalog No: AG003B6Q MDL No:MFCD06798244
Product Description
Catalog Number:
AG003B6Q
Chemical Name:
(2-Bromopyridin-4-yl)boronic acid
CAS Number:
458532-94-0
Molecular Formula:
C5H5BBrNO2
Molecular Weight:
201.8137
MDL Number:
MFCD06798244
IUPAC Name:
(2-bromopyridin-4-yl)boronic acid
InChI:
InChI=1S/C5H5BBrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
InChI Key:
DFIKFQMGZNTFLI-UHFFFAOYSA-N
SMILES:
Brc1nccc(c1)B(O)O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.814g/mol
Monoisotopic Mass:
200.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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