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205672-21-5 | Boronic acid, [2-(dimethylamino)-4-(phenylmethoxy)-5-pyrimidinyl]- (9CI)
CAS No: 205672-21-5 Catalog No: AG002AA2 MDL No:MFCD08689616
Product Description
Catalog Number:
AG002AA2
Chemical Name:
Boronic acid, [2-(dimethylamino)-4-(phenylmethoxy)-5-pyrimidinyl]- (9CI)
CAS Number:
205672-21-5
Molecular Formula:
C13H16BN3O3
Molecular Weight:
273.0954
MDL Number:
MFCD08689616
IUPAC Name:
[2-(dimethylamino)-4-phenylmethoxypyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C13H16BN3O3/c1-17(2)13-15-8-11(14(18)19)12(16-13)20-9-10-6-4-3-5-7-10/h3-8,18-19H,9H2,1-2H3
InChI Key:
WYIPFXDOPGYMLS-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1OCc1ccccc1)N(C)C)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.099g/mol
Monoisotopic Mass:
273.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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