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Home > Boronic Acids > 1256355-22-2
1256355-22-2 | Boronic acid, B-(3-chloro-4-pyridinyl)-, hydrate (1:1)
CAS No: 1256355-22-2 Catalog No: AG000O3M MDL No:MFCD03453058
Product Description
Catalog Number:
AG000O3M
Chemical Name:
Boronic acid, B-(3-chloro-4-pyridinyl)-, hydrate (1:1)
CAS Number:
1256355-22-2
Molecular Formula:
C5H7BClNO3
Molecular Weight:
175.3780
MDL Number:
MFCD03453058
IUPAC Name:
(3-chloropyridin-4-yl)boronic acid;hydrate
InChI:
InChI=1S/C5H5BClNO2.H2O/c7-5-3-8-2-1-4(5)6(9)10;/h1-3,9-10H;1H2
InChI Key:
FRQBKPHRQRPPDJ-UHFFFAOYSA-N
SMILES:
OB(c1ccncc1Cl)O.O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.021g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.375g/mol
Monoisotopic Mass:
175.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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