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1217501-29-5 | Benzenecarboximidic acid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1)
CAS No: 1217501-29-5 Catalog No: AG0015SB MDL No:MFCD12913946
Product Description
Catalog Number:
AG0015SB
Chemical Name:
Benzenecarboximidic acid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1)
CAS Number:
1217501-29-5
Molecular Formula:
C8H12BClN2O3
Molecular Weight:
230.4565
MDL Number:
MFCD12913946
IUPAC Name:
[2-amino-4-(C-methoxycarbonimidoyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C8H11BN2O3.ClH/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5;/h2-4,11-13H,10H2,1H3;1H
InChI Key:
KRJBXNLUTWEQPI-UHFFFAOYSA-N
SMILES:
COC(=N)c1ccc(c(c1)N)B(O)O.Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
230.455g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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