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Home > Boronic Acids > 137504-86-0
137504-86-0 | Boronic acid, B-(4-chloro-3-fluorophenyl)-
CAS No: 137504-86-0 Catalog No: AG0013EC MDL No:MFCD01319010
Product Description
Catalog Number:
AG0013EC
Chemical Name:
Boronic acid, B-(4-chloro-3-fluorophenyl)-
CAS Number:
137504-86-0
Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.3651
MDL Number:
MFCD01319010
IUPAC Name:
(4-chloro-3-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key:
CMJQIHGBUKZEHP-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)F)Cl)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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