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181136-33-4 | Benzoic acid, 3-bromo-4-methoxy-, hydrazide
CAS No: 181136-33-4 Catalog No: AG0022PU MDL No:MFCD02188626
Product Description
Catalog Number:
AG0022PU
Chemical Name:
Benzoic acid, 3-bromo-4-methoxy-, hydrazide
CAS Number:
181136-33-4
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD02188626
IUPAC Name:
3-bromo-4-methoxybenzohydrazide
InChI:
InChI=1S/C8H9BrN2O2/c1-13-7-3-2-5(4-6(7)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChI Key:
JMNOKSFPVQAECV-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(c(c1)Br)OC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo. | PLoS currents 20110807 |
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