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89728-24-5 | 2-Hexenoic acid, 4,5-dibromo-, methyl ester
CAS No: 89728-24-5 Catalog No: AG0041IF MDL No:
Product Description
Catalog Number:
AG0041IF
Chemical Name:
2-Hexenoic acid, 4,5-dibromo-, methyl ester
CAS Number:
89728-24-5
Molecular Formula:
C7H10Br2O2
Molecular Weight:
285.9611
IUPAC Name:
methyl 4,5-dibromohex-2-enoate
InChI:
InChI=1S/C7H10Br2O2/c1-5(8)6(9)3-4-7(10)11-2/h3-6H,1-2H3
InChI Key:
WPDGJLZQRVLHNN-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC(C(Br)C)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.903g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.963g/mol
Monoisotopic Mass:
283.905g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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