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161405-28-3

161405-28-3 | 4-Quinolinol, 8-bromo-5-methoxy-

CAS No: 161405-28-3 Catalog No: AG001SFO MDL No:MFCD17011830

Product Description

Catalog Number:
AG001SFO
Chemical Name:
4-Quinolinol, 8-bromo-5-methoxy-
CAS Number:
161405-28-3
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD17011830
IUPAC Name:
8-bromo-5-methoxy-1H-quinolin-4-one
InChI:
InChI=1S/C10H8BrNO2/c1-14-8-3-2-6(11)10-9(8)7(13)4-5-12-10/h2-5H,1H3,(H,12,13)
InChI Key:
AJYLXPGUZHOYLF-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1c(O)ccn2)Br

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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