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88051-14-3 | 2(1H)-Quinoxalinone, 3-(chloromethyl)-
CAS No: 88051-14-3 Catalog No: AG004IID MDL No:
Product Description
Catalog Number:
AG004IID
Chemical Name:
2(1H)-Quinoxalinone, 3-(chloromethyl)-
CAS Number:
88051-14-3
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
IUPAC Name:
3-(chloromethyl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C9H7ClN2O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,12,13)
InChI Key:
ZRGFBYZZHMUPBJ-UHFFFAOYSA-N
SMILES:
ClCc1nc2ccccc2[nH]c1=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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