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697762-39-3 | (Z)-ETHYL 2-(2,4-DIFLUORO-5-IODOBENZOYL)-3-(DIMETHYLAMINO)ACRYLATE
CAS No: 697762-39-3 Catalog No: AG005I04 MDL No:
Product Description
Catalog Number:
AG005I04
Chemical Name:
(Z)-ETHYL 2-(2,4-DIFLUORO-5-IODOBENZOYL)-3-(DIMETHYLAMINO)ACRYLATE
CAS Number:
697762-39-3
Molecular Formula:
C14H14F2INO3
Molecular Weight:
409.1671
IUPAC Name:
ethyl 2-(2,4-difluoro-5-iodobenzoyl)-3-(dimethylamino)prop-2-enoate
InChI:
InChI=1S/C14H14F2INO3/c1-4-21-14(20)9(7-18(2)3)13(19)8-5-12(17)11(16)6-10(8)15/h5-7H,4H2,1-3H3
InChI Key:
ASTNXCCOMRJHFX-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C\N(C)C)/C(=O)c1cc(I)c(cc1F)F
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.999g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.171g/mol
Monoisotopic Mass:
408.999g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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