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89668-25-7 | 6-Heptenoic acid, 7-(4-bromophenyl)-7-(3-pyridinyl)-, methyl ester, (E)-
CAS No: 89668-25-7 Catalog No: AG0043SY MDL No:
Product Description
Catalog Number:
AG0043SY
Chemical Name:
6-Heptenoic acid, 7-(4-bromophenyl)-7-(3-pyridinyl)-, methyl ester, (E)-
CAS Number:
89668-25-7
Molecular Formula:
C19H20BrNO2
Molecular Weight:
374.2716
IUPAC Name:
methyl 7-(4-bromophenyl)-7-pyridin-3-ylhept-6-enoate
InChI:
InChI=1S/C19H20BrNO2/c1-23-19(22)8-4-2-3-7-18(16-6-5-13-21-14-16)15-9-11-17(20)12-10-15/h5-7,9-14H,2-4,8H2,1H3
InChI Key:
GOQWZMSKVRFREI-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC/C=C(\c1ccc(cc1)Br)/c1cccnc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.278g/mol
Monoisotopic Mass:
373.068g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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