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Home > Boronic Acids > 1311182-54-3
1311182-54-3 | (4-[2-(AZEPAN-1-YL)ETHOXY]PHENYL)BORONIC ACID
CAS No: 1311182-54-3 Catalog No: AG01AQ74 MDL No:MFCD16413636
Product Description
Catalog Number:
AG01AQ74
Chemical Name:
(4-[2-(AZEPAN-1-YL)ETHOXY]PHENYL)BORONIC ACID
CAS Number:
1311182-54-3
Molecular Formula:
C14H22BNO3
Molecular Weight:
263.1404
MDL Number:
MFCD16413636
IUPAC Name:
[4-[2-(azepan-1-yl)ethoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H22BNO3/c17-15(18)13-5-7-14(8-6-13)19-12-11-16-9-3-1-2-4-10-16/h5-8,17-18H,1-4,9-12H2
InChI Key:
JDKVNWMFHCBGSA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCCN1CCCCCC1)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.144g/mol
Monoisotopic Mass:
263.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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