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Home Other Building Blocks 2,3-dihydro-1-benzofuran-2-carbohydrazide

2,3-dihydro-1-benzofuran-2-carbohydrazide

CAS No.:
176179-03-6
Catalog Number:
AG01A893
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
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Product Description
Catalog Number:
AG01A893
Chemical Name:
2,3-dihydro-1-benzofuran-2-carbohydrazide
CAS Number:
176179-03-6
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD09804779
IUPAC Name:
2,3-dihydro-1-benzofuran-2-carbohydrazide
InChI:
InChI=1S/C9H10N2O2/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-4,8H,5,10H2,(H,11,12)
InChI Key:
NUOAPTSESUAZOB-UHFFFAOYSA-N
SMILES:
NNC(=O)C1Cc2c(O1)cccc2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives. Journal of medicinal chemistry 20040715
Properties