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80182-33-8 | Chrysene, methylnitro-(9CI)
CAS No: 80182-33-8 Catalog No: AG005CJS MDL No:
Product Description
Catalog Number:
AG005CJS
Chemical Name:
Chrysene, methylnitro-(9CI)
CAS Number:
80182-33-8
Molecular Formula:
C19H13NO2
Molecular Weight:
287.3120
IUPAC Name:
1-methyl-3-nitrochrysene
InChI:
InChI=1S/C19H13NO2/c1-12-10-14(20(21)22)11-19-15(12)8-9-17-16-5-3-2-4-13(16)6-7-18(17)19/h2-11H,1H3
InChI Key:
ZIAOMROBSCTTJG-UHFFFAOYSA-N
SMILES:
Cc1cc(cc2c1ccc1c2ccc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.318g/mol
Monoisotopic Mass:
287.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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