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Home > Boronic Acids > 1256358-80-1
1256358-80-1 | Boronic acid, B-[3-[(2-thienylmethoxy)methyl]phenyl]-
CAS No: 1256358-80-1 Catalog No: AG000O6L MDL No:MFCD16198634
Product Description
Catalog Number:
AG000O6L
Chemical Name:
Boronic acid, B-[3-[(2-thienylmethoxy)methyl]phenyl]-
CAS Number:
1256358-80-1
Molecular Formula:
C12H13BO3S
Molecular Weight:
248.1058
MDL Number:
MFCD16198634
IUPAC Name:
[3-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H13BO3S/c14-13(15)11-4-1-3-10(7-11)8-16-9-12-5-2-6-17-12/h1-7,14-15H,8-9H2
InChI Key:
BLYQDAUIIYVBPR-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COCc1cccs1)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.103g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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