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Home > Boronic Acids > 1449142-33-9
1449142-33-9 | 2-Chloro-5-[4-(trifluoromethyl)phenylcarbamoyl]benzeneboronic acid
CAS No: 1449142-33-9 Catalog No: AG00HXAI MDL No:
Product Description
Catalog Number:
AG00HXAI
Chemical Name:
2-Chloro-5-[4-(trifluoromethyl)phenylcarbamoyl]benzeneboronic acid
CAS Number:
1449142-33-9
IUPAC Name:
[2-chloro-5-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H10BClF3NO3/c16-12-6-1-8(7-11(12)15(22)23)13(21)20-10-4-2-9(3-5-10)14(17,18)19/h1-7,22-23H,(H,20,21)
InChI Key:
DKDVIPQPHACDGG-UHFFFAOYSA-N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.493g/mol
Monoisotopic Mass:
343.039g/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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