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Home > Boronic Acids > 1002128-86-0
1002128-86-0 | Boronic acid, B-[2-(1-piperidinyl)-5-pyrimidinyl]-
CAS No: 1002128-86-0 Catalog No: AG00019A MDL No:MFCD07375149
Product Description
Catalog Number:
AG00019A
Chemical Name:
Boronic acid, B-[2-(1-piperidinyl)-5-pyrimidinyl]-
CAS Number:
1002128-86-0
Molecular Formula:
C9H14BN3O2
Molecular Weight:
207.0374
MDL Number:
MFCD07375149
IUPAC Name:
(2-piperidin-1-ylpyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C9H14BN3O2/c14-10(15)8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7,14-15H,1-5H2
InChI Key:
JFPMJXGMHDIKLK-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)N1CCCCC1)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.04g/mol
Monoisotopic Mass:
207.118g/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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