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1256355-02-8 | Boronic acid, B-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-
CAS No: 1256355-02-8 Catalog No: AG000O2S MDL No:MFCD17015767
Product Description
Catalog Number:
AG000O2S
Chemical Name:
Boronic acid, B-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-
CAS Number:
1256355-02-8
Molecular Formula:
C10H15BClNO3
Molecular Weight:
243.4950
MDL Number:
MFCD17015767
IUPAC Name:
[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]boronic acid
InChI:
InChI=1S/C10H15BClNO3/c1-13(2)5-6-16-10-7-8(11(14)15)3-4-9(10)12/h3-4,7,14-15H,5-6H2,1-2H3
InChI Key:
BHSHKCFCHGIRGG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)OCCN(C)C)Cl)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.494g/mol
Monoisotopic Mass:
243.083g/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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