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Home > Boronic Acids > 1449131-77-4
1449131-77-4 | 5-(3-Chloro-2-methylphenylcarbamoyl)-3-fluorobenzeneboronic acid
CAS No: 1449131-77-4 Catalog No: AG00HX8Z MDL No:
Product Description
Catalog Number:
AG00HX8Z
Chemical Name:
5-(3-Chloro-2-methylphenylcarbamoyl)-3-fluorobenzeneboronic acid
CAS Number:
1449131-77-4
IUPAC Name:
[3-[(3-chloro-2-methylphenyl)carbamoyl]-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C14H12BClFNO3/c1-8-12(16)3-2-4-13(8)18-14(19)9-5-10(15(20)21)7-11(17)6-9/h2-7,20-21H,1H3,(H,18,19)
InChI Key:
IGWBRSBUNMNBAM-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:
307.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
307.512g/mol
Monoisotopic Mass:
307.058g/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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