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957061-01-7 | (3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
CAS No: 957061-01-7 Catalog No: AG003ABD MDL No:MFCD09027256
Product Description
Catalog Number:
AG003ABD
Chemical Name:
(3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
CAS Number:
957061-01-7
Molecular Formula:
C13H22BClN2O3
Molecular Weight:
300.5894
MDL Number:
MFCD09027256
IUPAC Name:
[3-[2-(diethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C13H21BN2O3.ClH/c1-3-16(4-2)9-8-15-13(17)11-6-5-7-12(10-11)14(18)19;/h5-7,10,18-19H,3-4,8-9H2,1-2H3,(H,15,17);1H
InChI Key:
CXICYVWYLASJEJ-UHFFFAOYSA-N
SMILES:
CCN(CCNC(=O)c1cccc(c1)B(O)O)CC.Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
300.59g/mol
Monoisotopic Mass:
300.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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