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1218790-77-2 | Boronic acid, B-[3-(1-pyrrolidinyl)phenyl]-, hydrochloride (1:1)
CAS No: 1218790-77-2 Catalog No: AG0016AG MDL No:MFCD07787352
Product Description
Catalog Number:
AG0016AG
Chemical Name:
Boronic acid, B-[3-(1-pyrrolidinyl)phenyl]-, hydrochloride (1:1)
CAS Number:
1218790-77-2
Molecular Formula:
C10H15BClNO2
Molecular Weight:
227.4956
MDL Number:
MFCD07787352
IUPAC Name:
(3-pyrrolidin-1-ylphenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C10H14BNO2.ClH/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12;/h3-5,8,13-14H,1-2,6-7H2;1H
InChI Key:
DQOODNSQPNNSJY-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)N1CCCC1)O.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.495g/mol
Monoisotopic Mass:
227.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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