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1799733-46-2 | Quinoxaline, 3-chloro-2-(1,1-difluoro-3-buten-1-yl)-6-methoxy-
CAS No: 1799733-46-2 Catalog No: AG0021JH MDL No:
Product Description
Catalog Number:
AG0021JH
Chemical Name:
Quinoxaline, 3-chloro-2-(1,1-difluoro-3-buten-1-yl)-6-methoxy-
CAS Number:
1799733-46-2
Molecular Formula:
C13H11ClF2N2O
Molecular Weight:
284.6890
IUPAC Name:
3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline
InChI:
InChI=1S/C13H11ClF2N2O/c1-3-6-13(15,16)11-12(14)18-10-7-8(19-2)4-5-9(10)17-11/h3-5,7H,1,6H2,2H3
InChI Key:
BPSVWHVEZIDAHQ-UHFFFAOYSA-N
SMILES:
C=CCC(c1nc2ccc(cc2nc1Cl)OC)(F)F
EC Number:
811-491-3
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.691g/mol
Monoisotopic Mass:
284.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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