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89668-21-3 | 6-Heptenoic acid, 7-(2-bromophenyl)-7-(3-pyridinyl)-, methyl ester
CAS No: 89668-21-3 Catalog No: AG0043SZ MDL No:
Product Description
Catalog Number:
AG0043SZ
Chemical Name:
6-Heptenoic acid, 7-(2-bromophenyl)-7-(3-pyridinyl)-, methyl ester
CAS Number:
89668-21-3
Molecular Formula:
C19H20BrNO2
Molecular Weight:
374.2716
IUPAC Name:
methyl 7-(2-bromophenyl)-7-pyridin-3-ylhept-6-enoate
InChI:
InChI=1S/C19H20BrNO2/c1-23-19(22)12-4-2-3-9-16(15-8-7-13-21-14-15)17-10-5-6-11-18(17)20/h5-11,13-14H,2-4,12H2,1H3
InChI Key:
DRVRDEGLFJISSL-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC=C(c1ccccc1Br)c1cccnc1
Properties
Complexity:
397
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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