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1312942-14-5 | Boronic acid, B-[2-(cyclopropylamino)-5-pyrimidinyl]-
CAS No: 1312942-14-5 Catalog No: AG000VVI MDL No:MFCD18259229
Product Description
Catalog Number:
AG000VVI
Chemical Name:
Boronic acid, B-[2-(cyclopropylamino)-5-pyrimidinyl]-
CAS Number:
1312942-14-5
Molecular Formula:
C7H10BN3O2
Molecular Weight:
178.9842
MDL Number:
MFCD18259229
IUPAC Name:
[2-(cyclopropylamino)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C7H10BN3O2/c12-8(13)5-3-9-7(10-4-5)11-6-1-2-6/h3-4,6,12-13H,1-2H2,(H,9,10,11)
InChI Key:
QJEUYETUMSOZKR-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)NC1CC1)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:
3
Isotope Atom Count:
0
Molecular Weight:
178.986g/mol
Monoisotopic Mass:
179.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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