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946755-57-3 | 2-(CHLOROMETHYL)-4-OXO-1,4-DIHYDRO-6-QUINOLINECARBOXAMIDE
CAS No: 946755-57-3 Catalog No: AG006T7I MDL No:MFCD11053945
Product Description
Catalog Number:
AG006T7I
Chemical Name:
2-(CHLOROMETHYL)-4-OXO-1,4-DIHYDRO-6-QUINOLINECARBOXAMIDE
CAS Number:
946755-57-3
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
MDL Number:
MFCD11053945
IUPAC Name:
2-(chloromethyl)-4-oxo-1H-quinoline-6-carboxamide
InChI:
InChI=1S/C11H9ClN2O2/c12-5-7-4-10(15)8-3-6(11(13)16)1-2-9(8)14-7/h1-4H,5H2,(H2,13,16)(H,14,15)
InChI Key:
WOPQBASOFVWSAO-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)c2c([nH]1)ccc(c2)C(=O)N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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