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872495-51-7 | Borinic acid, (3-chlorophenyl)ethynyl-
CAS No: 872495-51-7 Catalog No: AG004R24 MDL No:
Product Description
Catalog Number:
AG004R24
Chemical Name:
Borinic acid, (3-chlorophenyl)ethynyl-
CAS Number:
872495-51-7
Molecular Formula:
C8H6BClO
Molecular Weight:
164.3966
IUPAC Name:
2-(3-chlorophenyl)ethynyl-hydroxyboron
InChI:
InChI=1S/C8H5BClO/c10-8-3-1-2-7(6-8)4-5-9-11/h1-3,6,11H
InChI Key:
HHTAFCWPPONADH-UHFFFAOYSA-N
SMILES:
OBC#Cc1cccc(c1)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.387g/mol
Monoisotopic Mass:
163.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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