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89752-66-9 | 2,4-Hexadienoic acid, 4-bromo-, 2-chloro-2-propenyl ester, (Z,E)-
CAS No: 89752-66-9 Catalog No: AG0040U9 MDL No:
Product Description
Catalog Number:
AG0040U9
Chemical Name:
2,4-Hexadienoic acid, 4-bromo-, 2-chloro-2-propenyl ester, (Z,E)-
CAS Number:
89752-66-9
Molecular Formula:
C9H10BrClO2
Molecular Weight:
265.5315
IUPAC Name:
2-chloroprop-2-enyl 4-bromohexa-2,4-dienoate
InChI:
InChI=1S/C9H10BrClO2/c1-3-8(10)4-5-9(12)13-6-7(2)11/h3-5H,2,6H2,1H3
InChI Key:
FBHLZGSMABWTCB-UHFFFAOYSA-N
SMILES:
C/C=C(\C=C/C(=O)OCC(=C)Cl)/Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.531g/mol
Monoisotopic Mass:
263.955g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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