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Home > Boronic Acids > 879609-79-7
879609-79-7 | Carbamic acid, [2-borono-5-(trifluoromethyl)phenyl]-,C-(1,1-dimethylethyl) ester
CAS No: 879609-79-7 Catalog No: AG00IEUB MDL No:
Product Description
Catalog Number:
AG00IEUB
Chemical Name:
Carbamic acid, [2-borono-5-(trifluoromethyl)phenyl]-,C-(1,1-dimethylethyl) ester
CAS Number:
879609-79-7
IUPAC Name:
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BF3NO4/c1-11(2,3)21-10(18)17-9-6-7(12(14,15)16)4-5-8(9)13(19)20/h4-6,19-20H,1-3H3,(H,17,18)
InChI Key:
XKUPYQIWBDNXAB-UHFFFAOYSA-N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.06g/mol
Monoisotopic Mass:
305.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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