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Home > Boronic Acids > 850568-18-2
850568-18-2 | (4-((Furan-2-ylmethyl);carbamoyl);phenyl);boronic acid
CAS No: 850568-18-2 Catalog No: AG004PC2 MDL No:MFCD04115672
Product Description
Catalog Number:
AG004PC2
Chemical Name:
(4-((Furan-2-ylmethyl);carbamoyl);phenyl);boronic acid
CAS Number:
850568-18-2
Molecular Formula:
C12H12BNO4
Molecular Weight:
245.0390
MDL Number:
MFCD04115672
IUPAC Name:
[4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H12BNO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
InChI Key:
KXSMENBYQORPAK-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:
245.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.041g/mol
Monoisotopic Mass:
245.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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