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Home > Fluorides > 288309-11-5
288309-11-5 | 2-Butenoic acid, 2-fluoro-3-(7-isoquinolinyl)-, ethyl ester, (2E)-
CAS No: 288309-11-5 Catalog No: AG002WPC MDL No:
Product Description
Catalog Number:
AG002WPC
Chemical Name:
2-Butenoic acid, 2-fluoro-3-(7-isoquinolinyl)-, ethyl ester, (2E)-
CAS Number:
288309-11-5
Molecular Formula:
C15H14FNO2
Molecular Weight:
259.2756
IUPAC Name:
ethyl 2-fluoro-3-isoquinolin-7-ylbut-2-enoate
InChI:
InChI=1S/C15H14FNO2/c1-3-19-15(18)14(16)10(2)12-5-4-11-6-7-17-9-13(11)8-12/h4-9H,3H2,1-2H3
InChI Key:
KKVHLNZATQFNJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(\c1ccc2c(c1)cncc2)/C)/F
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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