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Home > Boronic Acids > 871332-84-2
871332-84-2 | 3-[Methoxy(methyl)carbamoyl]-5-nitrophenylboronic acid
CAS No: 871332-84-2 Catalog No: AG004TVD MDL No:MFCD07783876
Product Description
Catalog Number:
AG004TVD
Chemical Name:
3-[Methoxy(methyl)carbamoyl]-5-nitrophenylboronic acid
CAS Number:
871332-84-2
Molecular Formula:
C9H11BN2O6
Molecular Weight:
254.0044
MDL Number:
MFCD07783876
IUPAC Name:
[3-[methoxy(methyl)carbamoyl]-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C9H11BN2O6/c1-11(18-2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
InChI Key:
RJGIEMNJBJFOMQ-UHFFFAOYSA-N
SMILES:
CON(C(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.005g/mol
Monoisotopic Mass:
254.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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