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Home > Boronic Acids > 1704069-64-6
1704069-64-6 | (4-(1-Morpholinoethyl)phenyl)boronic acid hydrochloride
CAS No: 1704069-64-6 Catalog No: AG00ARU8 MDL No:MFCD28805770
Product Description
Catalog Number:
AG00ARU8
Chemical Name:
(4-(1-Morpholinoethyl)phenyl)boronic acid hydrochloride
CAS Number:
1704069-64-6
Molecular Formula:
C12H19BClNO3
Molecular Weight:
271.5482
MDL Number:
MFCD28805770
IUPAC Name:
[4-(1-morpholin-4-ylethyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C12H18BNO3.ClH/c1-10(14-6-8-17-9-7-14)11-2-4-12(5-3-11)13(15)16;/h2-5,10,15-16H,6-9H2,1H3;1H
InChI Key:
GACXVFZIGKNMNO-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(N1CCOCC1)C)O.Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.548g/mol
Monoisotopic Mass:
271.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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