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105392-26-5 | Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
CAS No: 105392-26-5 Catalog No: AG003EQB MDL No:MFCD02683487
Product Description
Catalog Number:
AG003EQB
Chemical Name:
Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
CAS Number:
105392-26-5
Molecular Formula:
C14H12Cl2FNO3
Molecular Weight:
332.1544
MDL Number:
MFCD02683487
IUPAC Name:
methyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate
InChI:
InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,19H,2-3H2,1H3
InChI Key:
SOERDDQRVKVCEI-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/NC1CC1)/C(=O)c1cc(F)c(cc1Cl)Cl
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.018g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.152g/mol
Monoisotopic Mass:
331.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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