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Home > Boronic Acids > 1449144-60-8
1449144-60-8 | 5-(4-N-Butylphenylcarbamoyl)-2-chlorobenzeneboronic acid
CAS No: 1449144-60-8 Catalog No: AG00HXBB MDL No:
Product Description
Catalog Number:
AG00HXBB
Chemical Name:
5-(4-N-Butylphenylcarbamoyl)-2-chlorobenzeneboronic acid
CAS Number:
1449144-60-8
IUPAC Name:
[5-[(4-butylphenyl)carbamoyl]-2-chlorophenyl]boronic acid
InChI:
InChI=1S/C17H19BClNO3/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)13-7-10-16(19)15(11-13)18(22)23/h5-11,22-23H,2-4H2,1H3,(H,20,21)
InChI Key:
RHJMNXAZTFAMMY-UHFFFAOYSA-N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.603g/mol
Monoisotopic Mass:
331.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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