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89861-35-8 | 4-Pentenoic acid, 5,5-bis(4-chlorophenyl)-2-diazo-3-oxo-, ethyl ester
CAS No: 89861-35-8 Catalog No: AG003XCG MDL No:
Product Description
Catalog Number:
AG003XCG
Chemical Name:
4-Pentenoic acid, 5,5-bis(4-chlorophenyl)-2-diazo-3-oxo-, ethyl ester
CAS Number:
89861-35-8
Molecular Formula:
C19H14Cl2N2O3
Molecular Weight:
389.2321
IUPAC Name:
ethyl 5,5-bis(4-chlorophenyl)-2-diazo-3-oxopent-4-enoate
InChI:
InChI=1S/C19H14Cl2N2O3/c1-2-26-19(25)18(23-22)17(24)11-16(12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-11H,2H2,1H3
InChI Key:
OYERZMUIXXPGIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])C(=O)C=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.232g/mol
Monoisotopic Mass:
388.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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