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Home > Boronic Acids > 696602-91-2
696602-91-2 | Pyrimidine-5-boronic acid hemihydrate, 97%
CAS No: 696602-91-2 Catalog No: AG003U2Z MDL No:MFCD03002366
Product Description
Catalog Number:
AG003U2Z
Chemical Name:
Pyrimidine-5-boronic acid hemihydrate, 97%
CAS Number:
696602-91-2
MDL Number:
MFCD03002366
IUPAC Name:
pyrimidin-5-ylboronic acid;hydrate
InChI:
InChI=1S/C4H5BN2O2.H2O/c8-5(9)4-1-6-3-7-2-4;/h1-3,8-9H;1H2
InChI Key:
LYFNYAJLYNQEBC-UHFFFAOYSA-N
Properties
Complexity:
84.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.055g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
141.921g/mol
Monoisotopic Mass:
142.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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