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88312-88-3 | 6(5H)-Phenanthridinone, 5-(2-bromo-4-methylphenyl)-
CAS No: 88312-88-3 Catalog No: AG0048PE MDL No:
Product Description
Catalog Number:
AG0048PE
Chemical Name:
6(5H)-Phenanthridinone, 5-(2-bromo-4-methylphenyl)-
CAS Number:
88312-88-3
Molecular Formula:
C20H14BrNO
Molecular Weight:
364.2353
IUPAC Name:
5-(2-bromo-4-methylphenyl)phenanthridin-6-one
InChI:
InChI=1S/C20H14BrNO/c1-13-10-11-19(17(21)12-13)22-18-9-5-4-7-15(18)14-6-2-3-8-16(14)20(22)23/h2-12H,1H3
InChI Key:
RXWTWQSGXLLZGP-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)n1c(=O)c2ccccc2c2c1cccc2
Properties
Complexity:
453
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.242g/mol
Monoisotopic Mass:
363.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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