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89667-65-2 | 6-Heptenoic acid, 7-(3-bromophenyl)-7-(3-pyridinyl)-, (Z)-
CAS No: 89667-65-2 Catalog No: AG0043T6 MDL No:
Product Description
Catalog Number:
AG0043T6
Chemical Name:
6-Heptenoic acid, 7-(3-bromophenyl)-7-(3-pyridinyl)-, (Z)-
CAS Number:
89667-65-2
Molecular Formula:
C18H18BrNO2
Molecular Weight:
360.2450
IUPAC Name:
7-(3-bromophenyl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C18H18BrNO2/c19-16-8-4-6-14(12-16)17(15-7-5-11-20-13-15)9-2-1-3-10-18(21)22/h4-9,11-13H,1-3,10H2,(H,21,22)
InChI Key:
VZMLZXVJAXRPBG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC/C=C(/c1cccc(c1)Br)\c1cccnc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.251g/mol
Monoisotopic Mass:
359.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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