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850567-31-6 | (3-((2-(Dimethylamino);ethyl);carbamoyl);phenyl);boronic acid
CAS No: 850567-31-6 Catalog No: AG004Z82 MDL No:MFCD04115706
Product Description
Catalog Number:
AG004Z82
Chemical Name:
(3-((2-(Dimethylamino);ethyl);carbamoyl);phenyl);boronic acid
CAS Number:
850567-31-6
Molecular Formula:
C11H17BN2O3
Molecular Weight:
236.0753
MDL Number:
MFCD04115706
IUPAC Name:
[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C11H17BN2O3/c1-14(2)7-6-13-11(15)9-4-3-5-10(8-9)12(16)17/h3-5,8,16-17H,6-7H2,1-2H3,(H,13,15)
InChI Key:
WGZQGJKHTBTXLD-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1cccc(c1)B(O)O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.078g/mol
Monoisotopic Mass:
236.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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