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88418-52-4 | Phenanthridine, 6-chloro-3-nitro-
CAS No: 88418-52-4 Catalog No: AG004EWN MDL No:
Product Description
Catalog Number:
AG004EWN
Chemical Name:
Phenanthridine, 6-chloro-3-nitro-
CAS Number:
88418-52-4
Molecular Formula:
C13H7ClN2O2
Molecular Weight:
258.6599
IUPAC Name:
6-chloro-3-nitrophenanthridine
InChI:
InChI=1S/C13H7ClN2O2/c14-13-11-4-2-1-3-9(11)10-6-5-8(16(17)18)7-12(10)15-13/h1-7H
InChI Key:
ZTPQDVNVPYZCFO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(c1c2cccc1)Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.661g/mol
Monoisotopic Mass:
258.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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