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Home > Boronic Acids > 955374-13-7
955374-13-7 | 2-Pyrrolidinopyrimidine-5-boronic acid
CAS No: 955374-13-7 Catalog No: AG00IJ6U MDL No:MFCD10696938
Product Description
Catalog Number:
AG00IJ6U
Chemical Name:
2-Pyrrolidinopyrimidine-5-boronic acid
CAS Number:
955374-13-7
Molecular Formula:
C8H12BN3O2
Molecular Weight:
193.0108
MDL Number:
MFCD10696938
IUPAC Name:
(2-pyrrolidin-1-ylpyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C8H12BN3O2/c13-9(14)7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6,13-14H,1-4H2
InChI Key:
SNAOVFKQOOJCHK-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)N1CCCC1)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.102g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.013g/mol
Monoisotopic Mass:
193.102g/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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