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956576-44-6 | 2-(4-isobutoxyphenyl)quinoline-4-carbohydrazide
CAS No: 956576-44-6 Catalog No: AG00JBWA MDL No:MFCD03419314
Product Description
Catalog Number:
AG00JBWA
Chemical Name:
2-(4-isobutoxyphenyl)quinoline-4-carbohydrazide
CAS Number:
956576-44-6
Molecular Formula:
C20H21N3O2
Molecular Weight:
335.3996
MDL Number:
MFCD03419314
IUPAC Name:
2-[4-(2-methylpropoxy)phenyl]quinoline-4-carbohydrazide
InChI:
InChI=1S/C20H21N3O2/c1-13(2)12-25-15-9-7-14(8-10-15)19-11-17(20(24)23-21)16-5-3-4-6-18(16)22-19/h3-11,13H,12,21H2,1-2H3,(H,23,24)
InChI Key:
YFOTXSRFOIERNW-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)OCC(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.407g/mol
Monoisotopic Mass:
335.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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