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Home > Boronic Acids > 871332-79-5
871332-79-5 | 3-(Ethylcarbamoyl)-5-nitrophenylboronic acid
CAS No: 871332-79-5 Catalog No: AG004TVG MDL No:MFCD07783872
Product Description
Catalog Number:
AG004TVG
Chemical Name:
3-(Ethylcarbamoyl)-5-nitrophenylboronic acid
CAS Number:
871332-79-5
Molecular Formula:
C9H11BN2O5
Molecular Weight:
238.0050
MDL Number:
MFCD07783872
IUPAC Name:
[3-(ethylcarbamoyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C9H11BN2O5/c1-2-11-9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,2H2,1H3,(H,11,13)
InChI Key:
FWBAGEDRZQWROK-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.006g/mol
Monoisotopic Mass:
238.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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