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478245-18-0 | Boronic acid, (2S)-2-pyrrolidinyl-, hydrochloride
CAS No: 478245-18-0 Catalog No: AG006Z78 MDL No:
Product Description
Catalog Number:
AG006Z78
Chemical Name:
Boronic acid, (2S)-2-pyrrolidinyl-, hydrochloride
CAS Number:
478245-18-0
Molecular Formula:
C4H11BClNO2
Molecular Weight:
151.3996
IUPAC Name:
[(2S)-pyrrolidin-2-yl]boronic acid;hydrochloride
InChI:
InChI=1S/C4H10BNO2.ClH/c7-5(8)4-2-1-3-6-4;/h4,6-8H,1-3H2;1H/t4-;/m1./s1
InChI Key:
AGVMWTWBONEXNA-PGMHMLKASA-N
SMILES:
OB([C@H]1CCCN1)O.Cl
Properties
Complexity:
78.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
151.057g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
151.397g/mol
Monoisotopic Mass:
151.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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