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87967-25-7 | Acetic acid, [(4-bromo-3-chlorophenyl)amino]oxo-, 2-propenyl ester
CAS No: 87967-25-7 Catalog No: AG004E8K MDL No:
Product Description
Catalog Number:
AG004E8K
Chemical Name:
Acetic acid, [(4-bromo-3-chlorophenyl)amino]oxo-, 2-propenyl ester
CAS Number:
87967-25-7
Molecular Formula:
C11H9BrClNO3
Molecular Weight:
318.5511
IUPAC Name:
prop-2-enyl 2-(4-bromo-3-chloroanilino)-2-oxoacetate
InChI:
InChI=1S/C11H9BrClNO3/c1-2-5-17-11(16)10(15)14-7-3-4-8(12)9(13)6-7/h2-4,6H,1,5H2,(H,14,15)
InChI Key:
NDLLANFZMIAHOV-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(=O)Nc1ccc(c(c1)Cl)Br
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.945g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.551g/mol
Monoisotopic Mass:
316.945g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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