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Home > Boronic Acids > 1072951-42-8
1072951-42-8 | (2-(Methoxycarbonyl)-4-(trifluoromethyl)phenyl)boronic acid
CAS No: 1072951-42-8 Catalog No: AG003BK6 MDL No:MFCD11504848
Product Description
Catalog Number:
AG003BK6
Chemical Name:
(2-(Methoxycarbonyl)-4-(trifluoromethyl)phenyl)boronic acid
CAS Number:
1072951-42-8
Molecular Formula:
C9H8BF3O4
Molecular Weight:
247.9636
MDL Number:
MFCD11504848
IUPAC Name:
[2-methoxycarbonyl-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H8BF3O4/c1-17-8(14)6-4-5(9(11,12)13)2-3-7(6)10(15)16/h2-4,15-16H,1H3
InChI Key:
AAXBJDGTBHKXKN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.964g/mol
Monoisotopic Mass:
248.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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