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452972-10-0

452972-10-0 | 4-CHLORO3-PYRIDYLBORONIC ACID

CAS No: 452972-10-0 Catalog No: AG00DAER MDL No:MFCD06801679

Product Description

Catalog Number:
AG00DAER
Chemical Name:
4-CHLORO3-PYRIDYLBORONIC ACID
CAS Number:
452972-10-0
Molecular Formula:
C5H5BClNO2
Molecular Weight:
157.3627
MDL Number:
MFCD06801679
IUPAC Name:
(4-chloropyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H5BClNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3,9-10H
InChI Key:
IMEPMEDDZNANPY-UHFFFAOYSA-N
SMILES:
OB(c1cnccc1Cl)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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