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Home > Boronic Acids > 1411643-59-8
1411643-59-8 | Boronic acid, B-[2-(1-azetidinyl)-5-pyrimidinyl]-
CAS No: 1411643-59-8 Catalog No: AG001FZR MDL No:MFCD18261197
Product Description
Catalog Number:
AG001FZR
Chemical Name:
Boronic acid, B-[2-(1-azetidinyl)-5-pyrimidinyl]-
CAS Number:
1411643-59-8
Molecular Formula:
C7H10BN3O2
Molecular Weight:
178.9842
MDL Number:
MFCD18261197
IUPAC Name:
[2-(azetidin-1-yl)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C7H10BN3O2/c12-8(13)6-4-9-7(10-5-6)11-2-1-3-11/h4-5,12-13H,1-3H2
InChI Key:
NQBHKXVNPWRYKQ-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)N1CCC1)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.986g/mol
Monoisotopic Mass:
179.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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