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Home > Boronic Acids > 957062-87-2
957062-87-2 | (2-(Ethoxycarbonyl);-5-fluorophenyl);boronic acid
CAS No: 957062-87-2 Catalog No: AG00H83N MDL No:MFCD09878342
Product Description
Catalog Number:
AG00H83N
Chemical Name:
(2-(Ethoxycarbonyl);-5-fluorophenyl);boronic acid
CAS Number:
957062-87-2
Molecular Formula:
C9H10BFO4
Molecular Weight:
211.9827
MDL Number:
MFCD09878342
IUPAC Name:
(2-ethoxycarbonyl-5-fluorophenyl)boronic acid
InChI:
InChI=1S/C9H10BFO4/c1-2-15-9(12)7-4-3-6(11)5-8(7)10(13)14/h3-5,13-14H,2H2,1H3
InChI Key:
DIHBRMAJVXAIOE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1B(O)O)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.983g/mol
Monoisotopic Mass:
212.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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