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Home > Boronic Acids > 871329-52-1
871329-52-1 | (2-Chloro-3-fluorophenyl);boronic acid
CAS No: 871329-52-1 Catalog No: AG004KMG MDL No:MFCD07363741
Product Description
Catalog Number:
AG004KMG
Chemical Name:
(2-Chloro-3-fluorophenyl);boronic acid
CAS Number:
871329-52-1
Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.3651
MDL Number:
MFCD07363741
IUPAC Name:
(2-chloro-3-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChI Key:
TYOGIUGNZOBBHE-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1Cl)F)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.362g/mol
Monoisotopic Mass:
174.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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