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Home > Boronic Acids > 1449144-91-5
1449144-91-5 | 5-(4-Bromo-2-chlorophenylcarbamoyl)-2-fluorobenzeneboronic acid
CAS No: 1449144-91-5 Catalog No: AG00HXBR MDL No:
Product Description
Catalog Number:
AG00HXBR
Chemical Name:
5-(4-Bromo-2-chlorophenylcarbamoyl)-2-fluorobenzeneboronic acid
CAS Number:
1449144-91-5
IUPAC Name:
[5-[(4-bromo-2-chlorophenyl)carbamoyl]-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C13H9BBrClFNO3/c15-8-2-4-12(10(16)6-8)18-13(19)7-1-3-11(17)9(5-7)14(20)21/h1-6,20-21H,(H,18,19)
InChI Key:
KKLAXOIRVWIYAZ-UHFFFAOYSA-N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.953g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.381g/mol
Monoisotopic Mass:
370.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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