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848170-40-1 | 6-Bromo-3-(3-chloropropyl)quinolin-2(1H)-one
CAS No: 848170-40-1 Catalog No: AG004QX3 MDL No:
Product Description
Catalog Number:
AG004QX3
Chemical Name:
6-Bromo-3-(3-chloropropyl)quinolin-2(1H)-one
CAS Number:
848170-40-1
Molecular Formula:
C12H11BrClNO
Molecular Weight:
300.5788
IUPAC Name:
6-bromo-3-(3-chloropropyl)-1H-quinolin-2-one
InChI:
InChI=1S/C12H11BrClNO/c13-10-3-4-11-9(7-10)6-8(2-1-5-14)12(16)15-11/h3-4,6-7H,1-2,5H2,(H,15,16)
InChI Key:
NRDNNMZUDYLFDL-UHFFFAOYSA-N
SMILES:
ClCCCc1cc2cc(Br)ccc2[nH]c1=O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.58g/mol
Monoisotopic Mass:
298.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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