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Home > Boronic Acids > 458532-98-4
458532-98-4 | Boronic acid, (3-chloro-4-pyridinyl)-
CAS No: 458532-98-4 Catalog No: AG00D7ZT MDL No:MFCD03425942
Product Description
Catalog Number:
AG00D7ZT
Chemical Name:
Boronic acid, (3-chloro-4-pyridinyl)-
CAS Number:
458532-98-4
Molecular Formula:
C5H5BClNO2
Molecular Weight:
157.3627
MDL Number:
MFCD03425942
IUPAC Name:
(3-chloropyridin-4-yl)boronic acid
InChI:
InChI=1S/C5H5BClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H
InChI Key:
JLIHQPWLAOYTRH-UHFFFAOYSA-N
SMILES:
OB(c1ccncc1Cl)O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.36g/mol
Monoisotopic Mass:
157.01g/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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