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Home > Boronic Acids > 1449144-72-2
1449144-72-2 | 5-(4-Bromo-2-methylphenylcarbamoyl)-3-fluorobenzeneboronic acid
CAS No: 1449144-72-2 Catalog No: AG00HXBK MDL No:
Product Description
Catalog Number:
AG00HXBK
Chemical Name:
5-(4-Bromo-2-methylphenylcarbamoyl)-3-fluorobenzeneboronic acid
CAS Number:
1449144-72-2
IUPAC Name:
[3-[(4-bromo-2-methylphenyl)carbamoyl]-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C14H12BBrFNO3/c1-8-4-11(16)2-3-13(8)18-14(19)9-5-10(15(20)21)7-12(17)6-9/h2-7,20-21H,1H3,(H,18,19)
InChI Key:
VHZPIJXJGIYYHE-UHFFFAOYSA-N
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.008g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
351.966g/mol
Monoisotopic Mass:
351.008g/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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