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Home > Boronic Acids > 1309982-59-9
1309982-59-9 | 4-(1-PYRROLIDINYL)PHENYLBORONIC ACID HCL
CAS No: 1309982-59-9 Catalog No: AG009B8J MDL No:MFCD04112545
Product Description
Catalog Number:
AG009B8J
Chemical Name:
4-(1-PYRROLIDINYL)PHENYLBORONIC ACID HCL
CAS Number:
1309982-59-9
Molecular Formula:
C10H15BClNO2
Molecular Weight:
227.4956
MDL Number:
MFCD04112545
IUPAC Name:
(4-pyrrolidin-1-ylphenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C10H14BNO2.ClH/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12;/h3-6,13-14H,1-2,7-8H2;1H
InChI Key:
OWKIWLOZIOTTEF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N1CCCC1)O.Cl
Properties
Complexity:
175
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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