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1485417-01-3 | Boronic acid, B-[3-[(dimethylamino)methyl]phenyl]-, hydrochloride (1:1)
CAS No: 1485417-01-3 Catalog No: AG001KZL MDL No:MFCD20731144
Product Description
Catalog Number:
AG001KZL
Chemical Name:
Boronic acid, B-[3-[(dimethylamino)methyl]phenyl]-, hydrochloride (1:1)
CAS Number:
1485417-01-3
Molecular Formula:
C9H15BClNO2
Molecular Weight:
215.4849
MDL Number:
MFCD20731144
IUPAC Name:
[3-[(dimethylamino)methyl]phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C9H14BNO2.ClH/c1-11(2)7-8-4-3-5-9(6-8)10(12)13;/h3-6,12-13H,7H2,1-2H3;1H
InChI Key:
NLTVXNFNTNAFSL-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc(c1)B(O)O)C.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.484g/mol
Monoisotopic Mass:
215.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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