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Home > Boronic Acids > 874219-44-0
874219-44-0 | [3-(Dimethylcarbamoyl)-5-nitrophenyl]boronicacid
CAS No: 874219-44-0 Catalog No: AG004G73 MDL No:MFCD08235061
Product Description
Catalog Number:
AG004G73
Chemical Name:
[3-(Dimethylcarbamoyl)-5-nitrophenyl]boronicacid
CAS Number:
874219-44-0
Molecular Formula:
C9H11BN2O5
Molecular Weight:
238.0050
MDL Number:
MFCD08235061
IUPAC Name:
[3-(dimethylcarbamoyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C9H11BN2O5/c1-11(2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
InChI Key:
CMEDBCAYQJUDQF-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)C)O
Properties
Complexity:
304
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:
2
Isotope Atom Count:
0
Molecular Weight:
238.006g/mol
Monoisotopic Mass:
238.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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