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Home > Boronic Acids > 874289-27-7
874289-27-7 | 4-CyclohexylcarbaMoyl-2-fluorobenzeneboronic acid, 97%
CAS No: 874289-27-7 Catalog No: AG00H0UJ MDL No:
Product Description
Catalog Number:
AG00H0UJ
Chemical Name:
4-CyclohexylcarbaMoyl-2-fluorobenzeneboronic acid, 97%
CAS Number:
874289-27-7
Molecular Formula:
C13H17BFNO3
Molecular Weight:
265.0884
IUPAC Name:
[4-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C13H17BFNO3/c15-12-8-9(6-7-11(12)14(18)19)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChI Key:
ZBBIGDLFEWYSPN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)B(O)O)NC1CCCCC1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.091g/mol
Monoisotopic Mass:
265.129g/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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