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29176-54-3 | 1,10-Phenanthrolin-2(1H)-one, 9-chloro-1-methyl-
CAS No: 29176-54-3 Catalog No: AG002XKO MDL No:MFCD00185679
Product Description
Catalog Number:
AG002XKO
Chemical Name:
1,10-Phenanthrolin-2(1H)-one, 9-chloro-1-methyl-
CAS Number:
29176-54-3
Molecular Formula:
C13H9ClN2O
Molecular Weight:
244.6764
MDL Number:
MFCD00185679
IUPAC Name:
9-chloro-1-methyl-1,10-phenanthrolin-2-one
InChI:
InChI=1S/C13H9ClN2O/c1-16-11(17)7-5-9-3-2-8-4-6-10(14)15-12(8)13(9)16/h2-7H,1H3
InChI Key:
YXXDYYVBJXXVFC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)c1c(cc2)ccc(=O)n1C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.678g/mol
Monoisotopic Mass:
244.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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