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13050-47-0

13050-47-0 | Benzoic acid, 3-methyl-, hydrazide

CAS No: 13050-47-0 Catalog No: AG000UIK MDL No:MFCD00014760

Product Description

Catalog Number:
AG000UIK
Chemical Name:
Benzoic acid, 3-methyl-, hydrazide
CAS Number:
13050-47-0
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
MDL Number:
MFCD00014760
IUPAC Name:
3-methylbenzohydrazide
InChI:
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChI Key:
XFNNAMBYJSQXKF-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cccc(c1)C
EC Number:
235-926-6
NSC Number:
116189

Properties

Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
(E)-3-Methyl-N'-(4-nitro-benzyl-idene)benzohydrazide methanol monosolvate. Acta crystallographica. Section E, Structure reports online 20120301
(E)-N'-(2-Hy-droxy-3,5-diiodo-benzyl-idene)-3-methyl-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20120301
N'-(2-Hy-droxy-benzyl-idene)-3-methyl-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20111201
(E)-N'-(5-Bromo-2-hy-droxy-benzyl-idene)-3-methyl-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20110801
(E)-N'-[(2-Hy-droxy-1-naphthalen-1-yl)methyl-idene]-3-methyl-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20110401
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
2-Methyl-N'-(4-nitro-benzyl-idene)benzohydrazide. Acta crystallographica. Section E, Structure reports online 20101101
N'-(4-Hy-droxy-benzyl-idene)-2-methyl-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20101001

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