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89667-60-7 | 6-Heptenoic acid, 7-(2-bromophenyl)-7-(3-pyridinyl)-
CAS No: 89667-60-7 Catalog No: AG0043HW MDL No:
Product Description
Catalog Number:
AG0043HW
Chemical Name:
6-Heptenoic acid, 7-(2-bromophenyl)-7-(3-pyridinyl)-
CAS Number:
89667-60-7
Molecular Formula:
C18H18BrNO2
Molecular Weight:
360.2450
IUPAC Name:
7-(2-bromophenyl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C18H18BrNO2/c19-17-10-5-4-9-16(17)15(14-7-6-12-20-13-14)8-2-1-3-11-18(21)22/h4-10,12-13H,1-3,11H2,(H,21,22)
InChI Key:
GQLNUJZEZUHJCP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC=C(c1ccccc1Br)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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