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Home > Boronic Acids > 874534-61-9
874534-61-9 | (4-(((Tetrahydrofuran-2-yl)methyl)carbamoyl)phenyl)boronic acid
CAS No: 874534-61-9 Catalog No: AG003BTS MDL No:MFCD12025995
Product Description
Catalog Number:
AG003BTS
Chemical Name:
(4-(((Tetrahydrofuran-2-yl)methyl)carbamoyl)phenyl)boronic acid
CAS Number:
874534-61-9
Molecular Formula:
C12H16BNO4
Molecular Weight:
249.0707
MDL Number:
MFCD12025995
IUPAC Name:
[4-(oxolan-2-ylmethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H16BNO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h3-6,11,16-17H,1-2,7-8H2,(H,14,15)
InChI Key:
BAQWKOHCDPHSRV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)NCC1CCCO1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.073g/mol
Monoisotopic Mass:
249.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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