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Home > Boronic Acids > 1072952-40-9

1072952-40-9

1072952-40-9 | (3-Methylpyridin-4-yl);boronic acid hydrochloride

CAS No: 1072952-40-9 Catalog No: AG003BSV MDL No:MFCD06659519

Product Description

Catalog Number:
AG003BSV
Chemical Name:
(3-Methylpyridin-4-yl);boronic acid hydrochloride
CAS Number:
1072952-40-9
Molecular Formula:
C6H9BClNO2
Molecular Weight:
173.4052
MDL Number:
MFCD06659519
IUPAC Name:
(3-methylpyridin-4-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C6H8BNO2.ClH/c1-5-4-8-3-2-6(5)7(9)10;/h2-4,9-10H,1H3;1H
InChI Key:
NGOUFMIMHSRFGU-UHFFFAOYSA-N
SMILES:
OB(c1ccncc1C)O.Cl

Properties

Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
173.403g/mol
Monoisotopic Mass:
173.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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