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116214-52-9 | Phenol, 4-bromo-2-(1-methylbenzo[f]quinolin-3-yl)-
CAS No: 116214-52-9 Catalog No: AG000BXN MDL No:
Product Description
Catalog Number:
AG000BXN
Chemical Name:
Phenol, 4-bromo-2-(1-methylbenzo[f]quinolin-3-yl)-
CAS Number:
116214-52-9
Molecular Formula:
C20H14BrNO
Molecular Weight:
364.2353
IUPAC Name:
4-bromo-2-(1-methylbenzo[f]quinolin-3-yl)phenol
InChI:
InChI=1S/C20H14BrNO/c1-12-10-18(16-11-14(21)7-9-19(16)23)22-17-8-6-13-4-2-3-5-15(13)20(12)17/h2-11,23H,1H3
InChI Key:
XUJQZVPCQFHQJG-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)c1cc(C)c2c(n1)ccc1c2cccc1)O
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.242g/mol
Monoisotopic Mass:
363.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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