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Home > Boronic Acids > 1313761-33-9
1313761-33-9 | (3-[2-(AZEPAN-1-YL)ETHOXY]PHENYL)BORONIC ACID
CAS No: 1313761-33-9 Catalog No: AG01AQ73 MDL No:MFCD16413635
Product Description
Catalog Number:
AG01AQ73
Chemical Name:
(3-[2-(AZEPAN-1-YL)ETHOXY]PHENYL)BORONIC ACID
CAS Number:
1313761-33-9
Molecular Formula:
C14H22BNO3
Molecular Weight:
263.1404
MDL Number:
MFCD16413635
IUPAC Name:
[3-[2-(azepan-1-yl)ethoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H22BNO3/c17-15(18)13-6-5-7-14(12-13)19-11-10-16-8-3-1-2-4-9-16/h5-7,12,17-18H,1-4,8-11H2
InChI Key:
QMLGXJYGNFBFEY-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCCN1CCCCCC1)O
Properties
Complexity:
245
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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