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14685-90-6 | Benzoic acid, 4-hydrazinyl-, ethyl ester
CAS No: 14685-90-6 Catalog No: AG001EDY MDL No:MFCD00278571
Product Description
Catalog Number:
AG001EDY
Chemical Name:
Benzoic acid, 4-hydrazinyl-, ethyl ester
CAS Number:
14685-90-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00278571
IUPAC Name:
ethyl 4-hydrazinylbenzoate
InChI:
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-3-5-8(11-10)6-4-7/h3-6,11H,2,10H2,1H3
InChI Key:
JYYDHGMTXHCSKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NN
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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